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

Systemtic Name: methyl 1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxylate Openeye Name: methyl 1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxylate CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxylate Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]isoquinoline-4-carboxylic acid methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C22H23N3O3/c1-27-17-9-7-16(8-10-17)24-11-13-25(14-12-24)21-19-6-4-3-5-18(19)20(15-23-21)22(26)28-2/h3-10,15H,11-14H2,1-2H3