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

Systemtic Name: 4-(3-cyano-6-ethoxy-quinolin-2-yl)-N-(2-ethoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyano-6-ethoxy-2-quinolyl)-N-(2-ethoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyano-6-ethoxy-2-quinolinyl)-N-(2-ethoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyano-6-ethoxyquinolin-2-yl)-N-(2-ethoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyano-6-ethoxy-2-quinolyl)-N-o-phenetyl-1,4-diazepane-1-carboxamide Formula: C26H29N5O3 MolecularWeight: 459.54016

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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=C4OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)NC4=CC=CC=C4OCC

InChI

InChI=1S/C26H29N5O3/c1-3-33-21-10-11-22-19(17-21)16-20(18-27)25(28-22)30-12-7-13-31(15-14-30)26(32)29-23-8-5-6-9-24(23)34-4-2/h5-6,8-11,16-17H,3-4,7,12-15H2,1-2H3,(H,29,32)