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

Systemtic Name: 4-(3-cyano-7,8-dimethyl-quinolin-2-yl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyano-7,8-dimethyl-2-quinolyl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyano-7,8-dimethyl-2-quinolinyl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyano-7,8-dimethylquinolin-2-yl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyano-7,8-dimethyl-2-quinolyl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C25H27N5O2 MolecularWeight: 429.51418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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