4-(3-cyano-7,8-dimethyl-quinolin-2-yl)-N-(3-ethanoylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-cyano-7,8-dimethyl-quinolin-2-yl)-N-(3-ethanoylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(3-acetylphenyl)-4-(3-cyano-7,8-dimethyl-2-quinolyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-acetylphenyl)-4-(3-cyano-7,8-dimethyl-2-quinolinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-acetylphenyl)-4-(3-cyano-7,8-dimethylquinolin-2-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(3-acetylphenyl)-4-(3-cyano-7,8-dimethyl-2-quinolyl)-1,4-diazepane-1-carboxamide Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)NC4=CC=CC(=C4)C(=O)C)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)NC4=CC=CC(=C4)C(=O)C)C#N)C

InChI

InChI=1S/C26H27N5O2/c1-17-8-9-21-14-22(16-27)25(29-24(21)18(17)2)30-10-5-11-31(13-12-30)26(33)28-23-7-4-6-20(15-23)19(3)32/h4,6-9,14-15H,5,10-13H2,1-3H3,(H,28,33)