7-chloranyl-1-(2-methylphenyl)-2-(1-methylpiperidin-3-yl)-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 7-chloranyl-1-(2-methylphenyl)-2-(1-methylpiperidin-3-yl)-1H-isoquinoline-4-carboxylic acid Openeye Name: 7-chloro-2-(1-methyl-3-piperidyl)-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid CAS Name: 7-chloro-1-(2-methylphenyl)-2-(1-methyl-3-piperidinyl)-1H-isoquinoline-4-carboxylic acid IUPAC Name: 7-chloro-1-(2-methylphenyl)-2-(1-methylpiperidin-3-yl)-1H-isoquinoline-4-carboxylic acid Traditional Name: 7-chloro-2-(1-methyl-3-piperidyl)-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid Formula: C23H25ClN2O2 MolecularWeight: 396.9098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3=C(C=CC(=C3)Cl)C(=CN2C4CCCN(C4)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2C3=C(C=CC(=C3)Cl)C(=CN2C4CCCN(C4)C)C(=O)O

InChI

InChI=1S/C23H25ClN2O2/c1-15-6-3-4-8-18(15)22-20-12-16(24)9-10-19(20)21(23(27)28)14-26(22)17-7-5-11-25(2)13-17/h3-4,6,8-10,12,14,17,22H,5,7,11,13H2,1-2H3,(H,27,28)