propan-2-yl 4-[2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazinyl]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazino]acetyl]amino]benzoic acid isopropyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC(=O)NC4=CC=C(C=C4)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC(=O)NC4=CC=C(C=C4)C(=O)OC(C)C

InChI

InChI=1S/C27H31N5O4/c1-17(2)36-27(35)20-10-12-21(13-11-20)29-23(33)16-31-15-14-28-26(34)25(31)24-18(3)30-32(19(24)4)22-8-6-5-7-9-22/h5-13,17,25H,14-16H2,1-4H3,(H,28,34)(H,29,33)