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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Traditional Name: N-homoveratryl-5-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)-3-pyrazoline-3-carboxamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NN2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)C(=O)C=C1

Isomeric SMILES

CC1=CC(=C2C=C(NN2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)C(=O)C=C1

InChI

InChI=1S/C21H23N3O4/c1-13-4-6-18(25)15(10-13)16-12-17(24-23-16)21(26)22-9-8-14-5-7-19(27-2)20(11-14)28-3/h4-7,10-12,23-24H,8-9H2,1-3H3,(H,22,26)