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

Systemtic Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-5-(morpholin-4-ylmethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-5-(morpholinomethyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[3-[[(3-cyanoanilino)-oxomethyl]amino]-5-(4-morpholinylmethyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-5-(morpholin-4-ylmethyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-2-keto-5-(morpholinomethyl)-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenyl-acetamide Formula: C31H31N7O4 MolecularWeight: 565.62234

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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)CN5CCOCC5

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC(=C4)C#N)CN5CCOCC5

InChI

InChI=1S/C31H31N7O4/c1-36(24-10-3-2-4-11-24)28(39)21-38-27-13-6-5-12-25(27)26(20-37-14-16-42-17-15-37)34-29(30(38)40)35-31(41)33-23-9-7-8-22(18-23)19-32/h2-13,18,29H,14-17,20-21H2,1H3,(H2,33,35,41)