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

Systemtic Name: tert-butyl 4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylcarbamoyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylcarbamoyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-oxomethyl]-2-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylcarbamoyl]-2-phenylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylcarbamoyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C32H41N5O3 MolecularWeight: 543.69964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3)C(=O)NCCCN4CCC5=CC=CC=C5C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3)C(=O)NCCCN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C32H41N5O3/c1-32(2,3)40-31(39)36-20-15-25(16-21-36)29-28(22-34-37(29)27-12-5-4-6-13-27)30(38)33-17-9-18-35-19-14-24-10-7-8-11-26(24)23-35/h4-8,10-13,22,25H,9,14-21,23H2,1-3H3,(H,33,38)