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

Systemtic Name: 2-[3-cyano-4-(7-ethoxy-6-methoxy-quinolin-4-yl)piperazin-1-yl]-4-phenoxy-benzamide Openeye Name: 2-[3-cyano-4-(7-ethoxy-6-methoxy-4-quinolyl)piperazin-1-yl]-4-phenoxy-benzamide CAS Name: 2-[3-cyano-4-(7-ethoxy-6-methoxy-4-quinolinyl)-1-piperazinyl]-4-phenoxybenzamide IUPAC Name: 2-[3-cyano-4-(7-ethoxy-6-methoxyquinolin-4-yl)piperazin-1-yl]-4-phenoxybenzamide Traditional Name: 2-[3-cyano-4-(7-ethoxy-6-methoxy-4-quinolyl)piperazino]-4-phenoxy-benzamide Formula: C30H29N5O4 MolecularWeight: 523.58236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=NC=CC(=C2C=C1OC)N3CCN(CC3C#N)C4=C(C=CC(=C4)OC5=CC=CC=C5)C(=O)N

Isomeric SMILES

CCOC1=CC2=NC=CC(=C2C=C1OC)N3CCN(CC3C#N)C4=C(C=CC(=C4)OC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C30H29N5O4/c1-3-38-29-17-25-24(16-28(29)37-2)26(11-12-33-25)35-14-13-34(19-20(35)18-31)27-15-22(9-10-23(27)30(32)36)39-21-7-5-4-6-8-21/h4-12,15-17,20H,3,13-14,19H2,1-2H3,(H2,32,36)