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

Systemtic Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-5-(morpholin-4-ylmethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N-ethyl-N-phenyl-ethanamide Openeye Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-5-(morpholinomethyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-ethyl-N-phenyl-acetamide CAS Name: 2-[3-[[(3-cyanoanilino)-oxomethyl]amino]-5-(4-morpholinylmethyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-ethyl-N-phenylacetamide IUPAC Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-5-(morpholin-4-ylmethyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-ethyl-N-phenylacetamide Traditional Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-2-keto-5-(morpholinomethyl)-3H-1,4-benzodiazepin-1-yl]-N-ethyl-N-phenyl-acetamide Formula: C32H33N7O4 MolecularWeight: 579.64892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(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/C32H33N7O4/c1-2-38(25-11-4-3-5-12-25)29(40)22-39-28-14-7-6-13-26(28)27(21-37-15-17-43-18-16-37)35-30(31(39)41)36-32(42)34-24-10-8-9-23(19-24)20-33/h3-14,19,30H,2,15-18,21-22H2,1H3,(H2,34,36,42)