tert-butyl 3-[4-(4-ethanoylphenyl)piperazin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[4-(4-ethanoylphenyl)piperazin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[4-(4-acetylphenyl)-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C

InChI

InChI=1S/C27H33N3O4/c1-19(31)20-9-11-23(12-10-20)28-13-15-29(16-14-28)25(32)24-17-21-7-5-6-8-22(21)18-30(24)26(33)34-27(2,3)4/h5-12,24H,13-18H2,1-4H3