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Details

Stereochemistry MIXED
Molecular Formula C42H44Cl2N4
Molecular Weight 675.732
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1'-(1,3-PHENYLENEBIS(METHYLENE))BIS(4-((4-CHLOROPHENYL)PHENYLMETHYL)PIPERAZINE)

SMILES

ClC1=CC=C(C=C1)C(N2CCN(CC3=CC(CN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=C(Cl)C=C6)=CC=C3)CC2)C7=CC=CC=C7

InChI

InChIKey=MFLLFLMDPCWJJV-UHFFFAOYSA-N
InChI=1S/C42H44Cl2N4/c43-39-18-14-37(15-19-39)41(35-10-3-1-4-11-35)47-26-22-45(23-27-47)31-33-8-7-9-34(30-33)32-46-24-28-48(29-25-46)42(36-12-5-2-6-13-36)38-16-20-40(44)21-17-38/h1-21,30,41-42H,22-29,31-32H2

HIDE SMILES / InChI

Molecular Formula C42H44Cl2N4
Molecular Weight 675.732
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
B882TCP54W
Record Status Validated (UNII)
Record Version