N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Traditional Name: N-homoveratryl-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-3-pyrazoline-3-carboxamide Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C3C=CC=CC3=O)NN2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C3C=CC=CC3=O)NN2)OC

InChI

InChI=1S/C20H21N3O4/c1-26-18-8-7-13(11-19(18)27-2)9-10-21-20(25)16-12-15(22-23-16)14-5-3-4-6-17(14)24/h3-8,11-12,22-23H,9-10H2,1-2H3,(H,21,25)