3-[2-(4-isoquinolin-1-ylpiperazin-1-yl)-2-oxidanylidene-ethanoyl]-4-methoxy-1H-indole-7-carboxylic acid

Systemtic Name: 3-[2-(4-isoquinolin-1-ylpiperazin-1-yl)-2-oxidanylidene-ethanoyl]-4-methoxy-1H-indole-7-carboxylic acid Openeye Name: 3-[2-[4-(1-isoquinolyl)piperazin-1-yl]-2-oxo-acetyl]-4-methoxy-1H-indole-7-carboxylic acid CAS Name: 3-[2-[4-(1-isoquinolinyl)-1-piperazinyl]-1,2-dioxoethyl]-4-methoxy-1H-indole-7-carboxylic acid IUPAC Name: 3-[2-(4-isoquinolin-1-ylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carboxylic acid Traditional Name: 3-[2-[4-(1-isoquinolyl)piperazino]-2-keto-acetyl]-4-methoxy-1H-indole-7-carboxylic acid Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CNC2=C(C=C1)C(=O)O)C(=O)C(=O)N3CCN(CC3)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

COC1=C2C(=CNC2=C(C=C1)C(=O)O)C(=O)C(=O)N3CCN(CC3)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C25H22N4O5/c1-34-19-7-6-17(25(32)33)21-20(19)18(14-27-21)22(30)24(31)29-12-10-28(11-13-29)23-16-5-3-2-4-15(16)8-9-26-23/h2-9,14,27H,10-13H2,1H3,(H,32,33)