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

Systemtic Name: tert-butyl 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-(4-methoxyphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H36N4O4 MolecularWeight: 516.63124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)OC)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)OC)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C30H36N4O4/c1-30(2,3)38-29(36)32-16-14-22(15-17-32)27-26(19-31-34(27)24-9-11-25(37-4)12-10-24)28(35)33-18-13-21-7-5-6-8-23(21)20-33/h5-12,19,22H,13-18,20H2,1-4H3