4-(3-cyano-6-methoxy-7-prop-2-ynoxy-quinolin-4-yl)-N-(4-cyanophenyl)piperazine-1-carboxamide

Systemtic Name: 4-(3-cyano-6-methoxy-7-prop-2-ynoxy-quinolin-4-yl)-N-(4-cyanophenyl)piperazine-1-carboxamide Openeye Name: 4-(3-cyano-6-methoxy-7-prop-2-ynoxy-4-quinolyl)-N-(4-cyanophenyl)piperazine-1-carboxamide CAS Name: 4-(3-cyano-6-methoxy-7-prop-2-ynoxy-4-quinolinyl)-N-(4-cyanophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(3-cyano-6-methoxy-7-prop-2-ynoxyquinolin-4-yl)-N-(4-cyanophenyl)piperazine-1-carboxamide Traditional Name: 4-(3-cyano-6-methoxy-7-propargyloxy-4-quinolyl)-N-(4-cyanophenyl)piperazine-1-carboxamide Formula: C26H22N6O3 MolecularWeight: 466.49128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C#N)OCC#C

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C#N)OCC#C

InChI

InChI=1S/C26H22N6O3/c1-3-12-35-24-14-22-21(13-23(24)34-2)25(19(16-28)17-29-22)31-8-10-32(11-9-31)26(33)30-20-6-4-18(15-27)5-7-20/h1,4-7,13-14,17H,8-12H2,2H3,(H,30,33)