6-[(5S)-5-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)carbonyl-pyrazolidin-3-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(5S)-5-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)carbonyl-pyrazolidin-3-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[(5S)-5-(3,4-dimethoxyphenyl)-1-(4-methylbenzoyl)pyrazolidin-3-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[(5S)-5-(3,4-dimethoxyphenyl)-1-[(4-methylphenyl)-oxomethyl]-3-pyrazolidinylidene]-3-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(5S)-5-(3,4-dimethoxyphenyl)-1-(4-methylbenzoyl)pyrazolidin-3-ylidene]-3-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[(5S)-5-(3,4-dimethoxyphenyl)-1-p-toluoyl-pyrazolidin-3-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(CC(=C3C=CC(=CC3=O)OC)N2)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2[C@@H](CC(=C3C=CC(=CC3=O)OC)N2)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H26N2O5/c1-16-5-7-17(8-6-16)26(30)28-22(18-9-12-24(32-3)25(13-18)33-4)15-21(27-28)20-11-10-19(31-2)14-23(20)29/h5-14,22,27H,15H2,1-4H3/t22-/m0/s1