tert-butyl 4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H30N4O3/c1-22(2,3)29-21(28)25-12-10-18(11-13-25)20(27)24(4)15-17-14-23-26(16-17)19-8-6-5-7-9-19/h5-9,14,16,18H,10-13,15H2,1-4H3