methyl 4-[4-[5-[(2-methylphenyl)carbonylamino]pyrazol-1-yl]piperidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-[5-[(2-methylphenyl)carbonylamino]pyrazol-1-yl]piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[5-[(2-methylbenzoyl)amino]pyrazol-1-yl]-1-piperidyl]-4-oxo-butanoate CAS Name: 4-[4-[5-[[(2-methylphenyl)-oxomethyl]amino]-1-pyrazolyl]-1-piperidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[5-[(2-methylbenzoyl)amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[4-[5-(o-toluoylamino)pyrazol-1-yl]piperidino]butyric acid methyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CCN(CC3)C(=O)CCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CCN(CC3)C(=O)CCC(=O)OC

InChI

InChI=1S/C21H26N4O4/c1-15-5-3-4-6-17(15)21(28)23-18-9-12-22-25(18)16-10-13-24(14-11-16)19(26)7-8-20(27)29-2/h3-6,9,12,16H,7-8,10-11,13-14H2,1-2H3,(H,23,28)