tert-butyl 4-[4-(1,3-benzodioxol-5-ylcarbamoyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(1,3-benzodioxol-5-ylcarbamoyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1,3-benzodioxol-5-ylcarbamoyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1,3-benzodioxol-5-ylcarbamoyl)-2-phenylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(1,3-benzodioxol-5-ylcarbamoyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H30N4O5 MolecularWeight: 490.5509

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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)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H30N4O5/c1-27(2,3)36-26(33)30-13-11-18(12-14-30)24-21(16-28-31(24)20-7-5-4-6-8-20)25(32)29-19-9-10-22-23(15-19)35-17-34-22/h4-10,15-16,18H,11-14,17H2,1-3H3,(H,29,32)