(4Z)-4-[5-(4-methoxyphenyl)-1-pyridin-4-ylcarbonyl-pyrazolidin-3-ylidene]-2-methyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[5-(4-methoxyphenyl)-1-pyridin-4-ylcarbonyl-pyrazolidin-3-ylidene]-2-methyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[5-(4-methoxyphenyl)-1-(pyridine-4-carbonyl)pyrazolidin-3-ylidene]-2-methyl-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[5-(4-methoxyphenyl)-1-[oxo(pyridin-4-yl)methyl]-3-pyrazolidinylidene]-2-methyl-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[5-(4-methoxyphenyl)-1-(pyridine-4-carbonyl)pyrazolidin-3-ylidene]-2-methylcyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[1-isonicotinoyl-5-(4-methoxyphenyl)pyrazolidin-3-ylidene]-2-methyl-cyclohexa-2,5-dien-1-one Formula: C23H21N3O3 MolecularWeight: 387.43114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2CC(N(N2)C(=O)C3=CC=NC=C3)C4=CC=C(C=C4)OC)C=CC1=O

Isomeric SMILES

CC1=C/C(=C\2/CC(N(N2)C(=O)C3=CC=NC=C3)C4=CC=C(C=C4)OC)/C=CC1=O

InChI

InChI=1S/C23H21N3O3/c1-15-13-18(5-8-22(15)27)20-14-21(16-3-6-19(29-2)7-4-16)26(25-20)23(28)17-9-11-24-12-10-17/h3-13,21,25H,14H2,1-2H3/b20-18-