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

Systemtic Name: propyl 4-[2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]ethanoylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCNC(=O)C2C3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCNC(=O)C2C3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

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