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

Systemtic Name: tert-butyl 4-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(1-benzylpyrazol-4-yl)methyl-methyl-carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1-benzylpyrazol-4-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(1-benzylpyrazol-4-yl)methyl-methyl-carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H32N4O3 MolecularWeight: 412.52518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(C)CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(C)CC2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H32N4O3/c1-23(2,3)30-22(29)26-12-10-20(11-13-26)21(28)25(4)15-19-14-24-27(17-19)16-18-8-6-5-7-9-18/h5-9,14,17,20H,10-13,15-16H2,1-4H3