[2-methoxy-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: [2-methoxy-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [2-methoxy-4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [2-methoxy-4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [2-methoxy-4-[[4-(2-pyridyl)piperazino]methyl]phenyl] ester Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=N3)OC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=N3)OC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H30N4O3/c1-33-25-18-21(19-29-14-16-30(17-15-29)26-8-4-5-12-28-26)9-10-24(25)34-27(32)31-13-11-22-6-2-3-7-23(22)20-31/h2-10,12,18H,11,13-17,19-20H2,1H3