1-(2,3-dimethylphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 1-(2,3-dimethylphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1H-isoquinoline-4-carboxylic acid Openeye Name: 1-(2,3-dimethylphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1H-isoquinoline-4-carboxylic acid CAS Name: 1-(2,3-dimethylphenyl)-2-[2-(4-methyl-1-piperazinyl)ethyl]-1H-isoquinoline-4-carboxylic acid IUPAC Name: 1-(2,3-dimethylphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1H-isoquinoline-4-carboxylic acid Traditional Name: 1-(2,3-dimethylphenyl)-2-[2-(4-methylpiperazino)ethyl]-1H-isoquinoline-4-carboxylic acid Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C2C3=CC=CC=C3C(=CN2CCN4CCN(CC4)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1C)C2C3=CC=CC=C3C(=CN2CCN4CCN(CC4)C)C(=O)O

InChI

InChI=1S/C25H31N3O2/c1-18-7-6-10-20(19(18)2)24-22-9-5-4-8-21(22)23(25(29)30)17-28(24)16-15-27-13-11-26(3)12-14-27/h4-10,17,24H,11-16H2,1-3H3,(H,29,30)