N-(2-azanyl-2-oxidanylidene-ethyl)-3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-3-(4-ethylphenyl)-1-(o-tolyl)pyrazole-4-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-3-(4-ethylphenyl)-1-(2-methylphenyl)-4-pyrazolecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-3-(4-ethylphenyl)-1-(o-tolyl)pyrazole-4-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC(=O)N)C3=CC=CC=C3C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC(=O)N)C3=CC=CC=C3C

InChI

InChI=1S/C21H22N4O2/c1-3-15-8-10-16(11-9-15)20-17(21(27)23-12-19(22)26)13-25(24-20)18-7-5-4-6-14(18)2/h4-11,13H,3,12H2,1-2H3,(H2,22,26)(H,23,27)