4-(3-cyano-6-ethyl-quinolin-2-yl)-N-(2-methylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-cyano-6-ethyl-quinolin-2-yl)-N-(2-methylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyano-6-ethyl-2-quinolyl)-N-(o-tolyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyano-6-ethyl-2-quinolinyl)-N-(2-methylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyano-6-ethylquinolin-2-yl)-N-(2-methylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyano-6-ethyl-2-quinolyl)-N-(o-tolyl)-1,4-diazepane-1-carboxamide Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)NC4=CC=CC=C4C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C25H27N5O/c1-3-19-9-10-23-20(15-19)16-21(17-26)24(27-23)29-11-6-12-30(14-13-29)25(31)28-22-8-5-4-7-18(22)2/h4-5,7-10,15-16H,3,6,11-14H2,1-2H3,(H,28,31)