2-[2-[(3-cyanophenyl)carbamoylamino]-3-oxidanylidene-7-(pyrrolidin-1-ylmethyl)-2H-1,4-diazepin-4-yl]-N-methyl-N-phenyl-ethanamide

Systemtic Name: 2-[2-[(3-cyanophenyl)carbamoylamino]-3-oxidanylidene-7-(pyrrolidin-1-ylmethyl)-2H-1,4-diazepin-4-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[2-[(3-cyanophenyl)carbamoylamino]-3-oxo-7-(pyrrolidin-1-ylmethyl)-2H-1,4-diazepin-4-yl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[2-[[(3-cyanoanilino)-oxomethyl]amino]-3-oxo-7-(1-pyrrolidinylmethyl)-2H-1,4-diazepin-4-yl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[2-[(3-cyanophenyl)carbamoylamino]-3-oxo-7-(pyrrolidin-1-ylmethyl)-2H-1,4-diazepin-4-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-[2-[(3-cyanophenyl)carbamoylamino]-3-keto-7-(pyrrolidinomethyl)-2H-1,4-diazepin-4-yl]-N-methyl-N-phenyl-acetamide Formula: C27H29N7O3 MolecularWeight: 499.56426

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CN2C=CC(=NC(C2=O)NC(=O)NC3=CC=CC(=C3)C#N)CN4CCCC4

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CN2C=CC(=NC(C2=O)NC(=O)NC3=CC=CC(=C3)C#N)CN4CCCC4

InChI

InChI=1S/C27H29N7O3/c1-32(23-10-3-2-4-11-23)24(35)19-34-15-12-22(18-33-13-5-6-14-33)29-25(26(34)36)31-27(37)30-21-9-7-8-20(16-21)17-28/h2-4,7-12,15-16,25H,5-6,13-14,18-19H2,1H3,(H2,30,31,37)