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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H34N4O2
Molecular Weight 398.5417
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BP-14979

SMILES

COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C3=CC=CC(=C3)C#N)CC1

InChI

InChIKey=PLMAPPWZOQMTBI-XUTJKUGGSA-N
InChI=1S/C23H34N4O2/c1-29-16-10-23(28)25-21-7-5-19(6-8-21)9-11-26-12-14-27(15-13-26)22-4-2-3-20(17-22)18-24/h2-4,17,19,21H,5-16H2,1H3,(H,25,28)/t19-,21-

HIDE SMILES / InChI

Molecular Formula C23H34N4O2
Molecular Weight 398.5417
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
XN7HA74WB0
Record Status Validated (UNII)
Record Version