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

Systemtic Name: tert-butyl 4-[2-(3-chloranyl-2-methyl-phenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chloro-2-methyl-phenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chloro-2-methylphenyl)-4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chloro-2-methylphenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-chloro-2-methyl-phenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H35ClN4O3 MolecularWeight: 535.0769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)N3CCC4=CC=CC=C4C3)C5CCN(CC5)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)N3CCC4=CC=CC=C4C3)C5CCN(CC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H35ClN4O3/c1-20-25(31)10-7-11-26(20)35-27(22-13-15-33(16-14-22)29(37)38-30(2,3)4)24(18-32-35)28(36)34-17-12-21-8-5-6-9-23(21)19-34/h5-11,18,22H,12-17,19H2,1-4H3