4-(3-cyano-5,7-dimethyl-quinolin-2-yl)-N-(4-cyanophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-cyano-5,7-dimethyl-quinolin-2-yl)-N-(4-cyanophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyano-5,7-dimethyl-2-quinolyl)-N-(4-cyanophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyano-5,7-dimethyl-2-quinolinyl)-N-(4-cyanophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyano-5,7-dimethylquinolin-2-yl)-N-(4-cyanophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyano-5,7-dimethyl-2-quinolyl)-N-(4-cyanophenyl)-1,4-diazepane-1-carboxamide Formula: C25H24N6O MolecularWeight: 424.49766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=O)NC4=CC=C(C=C4)C#N)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=O)NC4=CC=C(C=C4)C#N)C#N)C

InChI

InChI=1S/C25H24N6O/c1-17-12-18(2)22-14-20(16-27)24(29-23(22)13-17)30-8-3-9-31(11-10-30)25(32)28-21-6-4-19(15-26)5-7-21/h4-7,12-14H,3,8-11H2,1-2H3,(H,28,32)