2-[4-(3-cyano-6-methoxy-7-prop-2-ynoxy-quinolin-4-yl)piperazin-1-yl]-4-phenoxy-benzamide

Systemtic Name: 2-[4-(3-cyano-6-methoxy-7-prop-2-ynoxy-quinolin-4-yl)piperazin-1-yl]-4-phenoxy-benzamide Openeye Name: 2-[4-(3-cyano-6-methoxy-7-prop-2-ynoxy-4-quinolyl)piperazin-1-yl]-4-phenoxy-benzamide CAS Name: 2-[4-(3-cyano-6-methoxy-7-prop-2-ynoxy-4-quinolinyl)-1-piperazinyl]-4-phenoxybenzamide IUPAC Name: 2-[4-(3-cyano-6-methoxy-7-prop-2-ynoxyquinolin-4-yl)piperazin-1-yl]-4-phenoxybenzamide Traditional Name: 2-[4-(3-cyano-6-methoxy-7-propargyloxy-4-quinolyl)piperazino]-4-phenoxy-benzamide Formula: C31H27N5O4 MolecularWeight: 533.57718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)N3CCN(CC3)C4=C(C=CC(=C4)OC5=CC=CC=C5)C(=O)N)OCC#C

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)N3CCN(CC3)C4=C(C=CC(=C4)OC5=CC=CC=C5)C(=O)N)OCC#C

InChI

InChI=1S/C31H27N5O4/c1-3-15-39-29-18-26-25(17-28(29)38-2)30(21(19-32)20-34-26)36-13-11-35(12-14-36)27-16-23(9-10-24(27)31(33)37)40-22-7-5-4-6-8-22/h1,4-10,16-18,20H,11-15H2,2H3,(H2,33,37)