tert-butyl 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-phenylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H32N4O5 MolecularWeight: 504.57748

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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)OCCO5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C28H32N4O5/c1-28(2,3)37-27(34)31-13-11-19(12-14-31)25-22(18-29-32(25)21-7-5-4-6-8-21)26(33)30-20-9-10-23-24(17-20)36-16-15-35-23/h4-10,17-19H,11-16H2,1-3H3,(H,30,33)