4-(3-cyano-7,8-dimethyl-quinolin-2-yl)-N-(2,6-dimethylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-cyano-7,8-dimethyl-quinolin-2-yl)-N-(2,6-dimethylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyano-7,8-dimethyl-2-quinolyl)-N-(2,6-dimethylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyano-7,8-dimethyl-2-quinolinyl)-N-(2,6-dimethylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyano-7,8-dimethylquinolin-2-yl)-N-(2,6-dimethylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyano-7,8-dimethyl-2-quinolyl)-N-(2,6-dimethylphenyl)-1,4-diazepane-1-carboxamide Formula: C26H29N5O MolecularWeight: 427.54136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)N2CCCN(CC2)C3=NC4=C(C=CC(=C4C)C)C=C3C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)N2CCCN(CC2)C3=NC4=C(C=CC(=C4C)C)C=C3C#N

InChI

InChI=1S/C26H29N5O/c1-17-9-10-21-15-22(16-27)25(28-24(21)20(17)4)30-11-6-12-31(14-13-30)26(32)29-23-18(2)7-5-8-19(23)3/h5,7-10,15H,6,11-14H2,1-4H3,(H,29,32)