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

Systemtic Name: 4-(3-cyano-6-ethoxy-quinolin-2-yl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyano-6-ethoxy-2-quinolyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyano-6-ethoxy-2-quinolinyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyano-6-ethoxyquinolin-2-yl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyano-6-ethoxy-2-quinolyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C25H27N5O3/c1-3-33-20-9-10-21-18(16-20)15-19(17-26)24(27-21)29-11-6-12-30(14-13-29)25(31)28-22-7-4-5-8-23(22)32-2/h4-5,7-10,15-16H,3,6,11-14H2,1-2H3,(H,28,31)