2-[3-[(3-cyanophenyl)carbamoylamino]-2-oxidanylidene-5-(piperidin-1-ylmethyl)-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenyl-ethanamide

Systemtic Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-2-oxidanylidene-5-(piperidin-1-ylmethyl)-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-2-oxo-5-(1-piperidylmethyl)-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[3-[[(3-cyanoanilino)-oxomethyl]amino]-2-oxo-5-(1-piperidinylmethyl)-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-2-oxo-5-(piperidin-1-ylmethyl)-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-2-keto-5-(piperidinomethyl)-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenyl-acetamide Formula: C32H33N7O3 MolecularWeight: 563.64952

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC(=C4)C#N)CN5CCCCC5

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC(=C4)C#N)CN5CCCCC5

InChI

InChI=1S/C32H33N7O3/c1-37(25-13-4-2-5-14-25)29(40)22-39-28-16-7-6-15-26(28)27(21-38-17-8-3-9-18-38)35-30(31(39)41)36-32(42)34-24-12-10-11-23(19-24)20-33/h2,4-7,10-16,19,30H,3,8-9,17-18,21-22H2,1H3,(H2,34,36,42)