methyl 1-(2-chlorophenyl)-3-(1-methylpyrrolidin-3-yl)isoquinoline-4-carboxylate

Systemtic Name: methyl 1-(2-chlorophenyl)-3-(1-methylpyrrolidin-3-yl)isoquinoline-4-carboxylate Openeye Name: methyl 1-(2-chlorophenyl)-3-(1-methylpyrrolidin-3-yl)isoquinoline-4-carboxylate CAS Name: 1-(2-chlorophenyl)-3-(1-methyl-3-pyrrolidinyl)-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-chlorophenyl)-3-(1-methylpyrrolidin-3-yl)isoquinoline-4-carboxylate Traditional Name: 1-(2-chlorophenyl)-3-(1-methylpyrrolidin-3-yl)isoquinoline-4-carboxylic acid methyl ester Formula: C22H21ClN2O2 MolecularWeight: 380.86734

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)C2=C(C3=CC=CC=C3C(=N2)C4=CC=CC=C4Cl)C(=O)OC

Isomeric SMILES

CN1CCC(C1)C2=C(C3=CC=CC=C3C(=N2)C4=CC=CC=C4Cl)C(=O)OC

InChI

InChI=1S/C22H21ClN2O2/c1-25-12-11-14(13-25)20-19(22(26)27-2)15-7-3-4-8-16(15)21(24-20)17-9-5-6-10-18(17)23/h3-10,14H,11-13H2,1-2H3