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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H36N4O2
Molecular Weight 448.6003
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AR-A000002

SMILES

CN1CCN(CC1)C2=C3C[C@@H](CCC3=C(C)C=C2)NC(=O)C4=CC=C(C=C4)N5CCOCC5

InChI

InChIKey=IHDRUIHIJWCTIY-JOCHJYFZSA-N
InChI=1S/C27H36N4O2/c1-20-3-10-26(31-13-11-29(2)12-14-31)25-19-22(6-9-24(20)25)28-27(32)21-4-7-23(8-5-21)30-15-17-33-18-16-30/h3-5,7-8,10,22H,6,9,11-19H2,1-2H3,(H,28,32)/t22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H36N4O2
Molecular Weight 448.6003
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
L3CZ2XB4ER
Record Status Validated (UNII)
Record Version