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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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