3-(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]propanamide

Systemtic Name: 3-(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]propanamide Openeye Name: N-[(E)-(3-benzyloxyphenyl)methyleneamino]-3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanamide CAS Name: 3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]propanamide IUPAC Name: 3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]propanamide Traditional Name: N-[(E)-(3-benzoxybenzylidene)amino]-3-(3-keto-5-methyl-2-pyrazolin-4-yl)propionamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1CCC(=O)NN=CC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=NNC(=O)C1CCC(=O)N/N=C/C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-15-19(21(27)25-23-15)10-11-20(26)24-22-13-17-8-5-9-18(12-17)28-14-16-6-3-2-4-7-16/h2-9,12-13,19H,10-11,14H2,1H3,(H,24,26)(H,25,27)/b22-13+