ethyl 1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxylate

Systemtic Name: ethyl 1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxylate Openeye Name: ethyl 1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxylate CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxylate Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]isoquinoline-4-carboxylic acid ethyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3/c1-3-29-23(27)21-16-24-22(20-7-5-4-6-19(20)21)26-14-12-25(13-15-26)17-8-10-18(28-2)11-9-17/h4-11,16H,3,12-15H2,1-2H3