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

Systemtic Name: tert-butyl 4-[2-methyl-4-(4-phenylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-methyl-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-methyl-4-(4-phenylpiperazine-1-carbonyl)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=NN2C)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

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