6,7-dimethoxy-1-[3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]carbonyl-isoquinoline-4-carboxylic acid

Systemtic Name: 6,7-dimethoxy-1-[3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 6,7-dimethoxy-1-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzoyl]isoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-1-[oxo-[3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]phenyl]methyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6,7-dimethoxy-1-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzoyl]isoquinoline-4-carboxylic acid Traditional Name: 1-[3-[2-keto-2-(4-phenylpiperazino)ethoxy]benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C31H29N3O7 MolecularWeight: 555.57786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC(=CC=C3)OCC(=O)N4CCN(CC4)C5=CC=CC=C5)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC(=CC=C3)OCC(=O)N4CCN(CC4)C5=CC=CC=C5)C(=O)O)OC

InChI

InChI=1S/C31H29N3O7/c1-39-26-16-23-24(17-27(26)40-2)29(32-18-25(23)31(37)38)30(36)20-7-6-10-22(15-20)41-19-28(35)34-13-11-33(12-14-34)21-8-4-3-5-9-21/h3-10,15-18H,11-14,19H2,1-2H3,(H,37,38)