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

Systemtic Name: 1-(5-cyclohexyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]urea Openeye Name: 1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)urea CAS Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)urea Traditional Name: 1-[4-(4-benzylpiperazino)phenyl]-3-(5-cyclohexyl-2-keto-1-propyl-3H-1,4-benzodiazepin-3-yl)urea Formula: C36H44N6O2 MolecularWeight: 592.77356

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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)CC5=CC=CC=C5)C6CCCCC6

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5)C6CCCCC6

InChI

InChI=1S/C36H44N6O2/c1-2-21-42-32-16-10-9-15-31(32)33(28-13-7-4-8-14-28)38-34(35(42)43)39-36(44)37-29-17-19-30(20-18-29)41-24-22-40(23-25-41)26-27-11-5-3-6-12-27/h3,5-6,9-12,15-20,28,34H,2,4,7-8,13-14,21-26H2,1H3,(H2,37,39,44)