5-[(5-methyl-2,4-diphenyl-pyrazol-3-yl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(5-methyl-2,4-diphenyl-pyrazol-3-yl)amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[(5-methyl-2,4-diphenyl-pyrazol-3-yl)amino]-5-oxo-pentanoate CAS Name: 5-[(5-methyl-2,4-diphenyl-3-pyrazolyl)amino]-5-oxopentanoate IUPAC Name: 5-[(5-methyl-2,4-diphenylpyrazol-3-yl)amino]-5-oxopentanoate Traditional Name: 5-keto-5-[(5-methyl-2,4-diphenyl-pyrazol-3-yl)amino]valerate Formula: C21H20N3O3- MolecularWeight: 362.4018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC=CC=C2)NC(=O)CCCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C2=CC=CC=C2)NC(=O)CCCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-15-20(16-9-4-2-5-10-16)21(22-18(25)13-8-14-19(26)27)24(23-15)17-11-6-3-7-12-17/h2-7,9-12H,8,13-14H2,1H3,(H,22,25)(H,26,27)/p-1