N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[2-(dimethylamino)-2-oxo-ethyl]-1-phenyl-3-(p-tolyl)pyrazole-4-carboxamide CAS Name: N-[2-(dimethylamino)-2-oxoethyl]-3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-oxoethyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-[2-(dimethylamino)-2-keto-ethyl]-1-phenyl-3-(p-tolyl)pyrazole-4-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC(=O)N(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC(=O)N(C)C)C3=CC=CC=C3

InChI

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