tert-butyl 4-[4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[4-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1-pyrazolyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrazol-1-yl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[4-(3-keto-3-methoxy-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H34N4O5 MolecularWeight: 470.56126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C)CCC(=O)OC

InChI

InChI=1S/C25H34N4O5/c1-17-21(11-12-22(30)33-6)18(2)29(26-17)20-9-7-19(8-10-20)23(31)27-13-15-28(16-14-27)24(32)34-25(3,4)5/h7-10H,11-16H2,1-6H3