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

Systemtic Name: 1-[1-(cyclobutylmethyl)-5-cyclohexyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]urea Openeye Name: 1-[1-(cyclobutylmethyl)-5-cyclohexyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[4-[4-(4-pyridyl)piperazin-1-yl]phenyl]urea CAS Name: 1-[1-(cyclobutylmethyl)-5-cyclohexyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-pyridin-4-yl-1-piperazinyl)phenyl]urea IUPAC Name: 1-[1-(cyclobutylmethyl)-5-cyclohexyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[1-(cyclobutylmethyl)-5-cyclohexyl-2-keto-3H-1,4-benzodiazepin-3-yl]-3-[4-[4-(4-pyridyl)piperazino]phenyl]urea Formula: C36H43N7O2 MolecularWeight: 605.77232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(C(=O)N(C3=CC=CC=C32)CC4CCC4)NC(=O)NC5=CC=C(C=C5)N6CCN(CC6)C7=CC=NC=C7

Isomeric SMILES

C1CCC(CC1)C2=NC(C(=O)N(C3=CC=CC=C32)CC4CCC4)NC(=O)NC5=CC=C(C=C5)N6CCN(CC6)C7=CC=NC=C7

InChI

InChI=1S/C36H43N7O2/c44-35-34(39-33(27-9-2-1-3-10-27)31-11-4-5-12-32(31)43(35)25-26-7-6-8-26)40-36(45)38-28-13-15-29(16-14-28)41-21-23-42(24-22-41)30-17-19-37-20-18-30/h4-5,11-20,26-27,34H,1-3,6-10,21-25H2,(H2,38,40,45)