ethyl 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate

Systemtic Name: ethyl 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate Openeye Name: ethyl 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate Traditional Name: 1-[4-(2,3-dimethylphenyl)piperazino]isoquinoline-4-carboxylic acid ethyl ester Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C24H27N3O2/c1-4-29-24(28)21-16-25-23(20-10-6-5-9-19(20)21)27-14-12-26(13-15-27)22-11-7-8-17(2)18(22)3/h5-11,16H,4,12-15H2,1-3H3