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

Systemtic Name: 4-(3-cyano-6-ethyl-quinolin-2-yl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyano-6-ethyl-2-quinolyl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyano-6-ethyl-2-quinolinyl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyano-6-ethylquinolin-2-yl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyano-6-ethyl-2-quinolyl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C25H27N5O2 MolecularWeight: 429.51418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H27N5O2/c1-3-18-5-10-23-19(15-18)16-20(17-26)24(28-23)29-11-4-12-30(14-13-29)25(31)27-21-6-8-22(32-2)9-7-21/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,27,31)