N-(2-azanyl-2-oxidanylidene-ethyl)-3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC(=O)N)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC(=O)N)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H22N4O4/c1-28-17-9-8-15(10-18(17)29-2)20-16(21(27)23-11-19(22)26)13-25(24-20)12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H2,22,26)(H,23,27)