1-(5-cyclohexyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-phenylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-(5-cyclohexyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-phenylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-phenylpiperazin-1-yl)phenyl]urea CAS Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-phenyl-1-piperazinyl)phenyl]urea IUPAC Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-phenylpiperazin-1-yl)phenyl]urea Traditional Name: 1-(5-cyclohexyl-2-keto-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-phenylpiperazino)phenyl]urea Formula: C35H42N6O2 MolecularWeight: 578.74698

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCN(CC4)C5=CC=CC=C5)C6CCCCC6

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCN(CC4)C5=CC=CC=C5)C6CCCCC6

InChI

InChI=1S/C35H42N6O2/c1-2-21-41-31-16-10-9-15-30(31)32(26-11-5-3-6-12-26)37-33(34(41)42)38-35(43)36-27-17-19-29(20-18-27)40-24-22-39(23-25-40)28-13-7-4-8-14-28/h4,7-10,13-20,26,33H,2-3,5-6,11-12,21-25H2,1H3,(H2,36,38,43)