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

Systemtic Name: 1-[(3R)-5-cyclohexyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]urea Openeye Name: 1-[(3R)-5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-[4-[4-(4-pyridyl)piperazin-1-yl]phenyl]urea CAS Name: 1-[(3R)-5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-pyridin-4-yl-1-piperazinyl)phenyl]urea IUPAC Name: 1-[(3R)-5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[(3R)-5-cyclohexyl-2-keto-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-[4-[4-(4-pyridyl)piperazino]phenyl]urea Formula: C34H41N7O2 MolecularWeight: 579.73504

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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=NC=C5)C6CCCCC6

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC=C(C=C3)N4CCN(CC4)C5=CC=NC=C5)C6CCCCC6

InChI

InChI=1S/C34H41N7O2/c1-2-20-41-30-11-7-6-10-29(30)31(25-8-4-3-5-9-25)37-32(33(41)42)38-34(43)36-26-12-14-27(15-13-26)39-21-23-40(24-22-39)28-16-18-35-19-17-28/h6-7,10-19,25,32H,2-5,8-9,20-24H2,1H3,(H2,36,38,43)/t32-/m0/s1