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

Systemtic Name: tert-butyl 4-[2-tert-butyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-tert-butyl-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-tert-butyl-4-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-tert-butyl-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-tert-butyl-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H43N5O4 MolecularWeight: 525.68282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C=N1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)OC)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)N1C(=C(C=N1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)OC)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H43N5O4/c1-28(2,3)34-25(21-11-13-33(14-12-21)27(36)38-29(4,5)6)24(20-30-34)26(35)32-17-15-31(16-18-32)22-9-8-10-23(19-22)37-7/h8-10,19-21H,11-18H2,1-7H3