tert-butyl 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-(3-methylphenyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-(3-methylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(m-tolyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-(3-methylphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(3-methylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(m-tolyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H36N4O3 MolecularWeight: 500.63184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N3CCC4=CC=CC=C4C3)C5CCN(CC5)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N3CCC4=CC=CC=C4C3)C5CCN(CC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H36N4O3/c1-21-8-7-11-25(18-21)34-27(23-13-15-32(16-14-23)29(36)37-30(2,3)4)26(19-31-34)28(35)33-17-12-22-9-5-6-10-24(22)20-33/h5-11,18-19,23H,12-17,20H2,1-4H3