tert-butyl 4-[2-tert-butyl-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-tert-butyl-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-tert-butyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-tert-butyl-4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-tert-butyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-tert-butyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H45N5O3 MolecularWeight: 523.71

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=C(N(N=C3)C(C)(C)C)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=C(N(N=C3)C(C)(C)C)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H45N5O3/c1-21-9-10-22(2)25(19-21)32-15-17-33(18-16-32)27(36)24-20-31-35(29(3,4)5)26(24)23-11-13-34(14-12-23)28(37)38-30(6,7)8/h9-10,19-20,23H,11-18H2,1-8H3