tert-butyl 4-[4-(4-methylpiperazin-1-yl)carbonyl-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-methylpiperazin-1-yl)carbonyl-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-methylpiperazine-1-carbonyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(4-methyl-1-piperazinyl)-oxomethyl]-2-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-methylpiperazine-1-carbonyl)-2-phenylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-methylpiperazine-1-carbonyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H35N5O3 MolecularWeight: 453.5771

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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)N4CCN(CC4)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C25H35N5O3/c1-25(2,3)33-24(32)29-12-10-19(11-13-29)22-21(23(31)28-16-14-27(4)15-17-28)18-26-30(22)20-8-6-5-7-9-20/h5-9,18-19H,10-17H2,1-4H3