N-[(4-cyanophenyl)methyl]-2-ethoxy-2-[(5Z)-4-methyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]ethanamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-2-ethoxy-2-[(5Z)-4-methyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]ethanamide Openeye Name: N-[(4-cyanophenyl)methyl]-2-ethoxy-2-[(5Z)-4-methyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]acetamide CAS Name: N-[(4-cyanophenyl)methyl]-2-ethoxy-2-[(5Z)-4-methyl-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrazol-2-yl]acetamide IUPAC Name: N-[(4-cyanophenyl)methyl]-2-ethoxy-2-[(5Z)-4-methyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]acetamide Traditional Name: N-(4-cyanobenzyl)-2-ethoxy-2-[(3Z)-3-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-methyl-3-pyrazolin-1-yl]acetamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)NCC1=CC=C(C=C1)C#N)N2C=C(C(=C3C=CC=CC3=O)N2)C

Isomeric SMILES

CCOC(C(=O)NCC1=CC=C(C=C1)C#N)N2C=C(/C(=C/3\C=CC=CC3=O)/N2)C

InChI

InChI=1S/C22H22N4O3/c1-3-29-22(21(28)24-13-17-10-8-16(12-23)9-11-17)26-14-15(2)20(25-26)18-6-4-5-7-19(18)27/h4-11,14,22,25H,3,13H2,1-2H3,(H,24,28)/b20-18-