3-(4-methylphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-methylphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(4-propoxyphenyl)methyleneamino]-3-(p-tolyl)-1H-pyrazole-5-carboxamide CAS Name: 3-(4-methylphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-methylphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-(4-propoxybenzylidene)amino]-3-(p-tolyl)-1H-pyrazole-5-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=NNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N4O2/c1-3-12-27-18-10-6-16(7-11-18)14-22-25-21(26)20-13-19(23-24-20)17-8-4-15(2)5-9-17/h4-11,13-14H,3,12H2,1-2H3,(H,23,24)(H,25,26)/b22-14+