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

Systemtic Name: 4-(3-cyano-5,7-dimethyl-quinolin-2-yl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyano-5,7-dimethyl-2-quinolyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyano-5,7-dimethyl-2-quinolinyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyano-5,7-dimethylquinolin-2-yl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyano-5,7-dimethyl-2-quinolyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=O)NC4=CC=CC=C4OC)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=O)NC4=CC=CC=C4OC)C#N)C

InChI

InChI=1S/C25H27N5O2/c1-17-13-18(2)20-15-19(16-26)24(27-22(20)14-17)29-9-6-10-30(12-11-29)25(31)28-21-7-4-5-8-23(21)32-3/h4-5,7-8,13-15H,6,9-12H2,1-3H3,(H,28,31)