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

Systemtic Name: 4-chloranyl-6-[(5S)-5-(4-methoxyphenyl)-1-(4-methylphenyl)carbonyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-6-[(5S)-5-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-6-[(5S)-5-(4-methoxyphenyl)-1-[(4-methylphenyl)-oxomethyl]-3-pyrazolidinylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-6-[(5S)-5-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-[(5S)-5-(4-methoxyphenyl)-1-p-toluoyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C24H21ClN2O3 MolecularWeight: 420.88814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClN2O3/c1-15-3-5-17(6-4-15)24(29)27-22(16-7-10-19(30-2)11-8-16)14-21(26-27)20-13-18(25)9-12-23(20)28/h3-13,22,26H,14H2,1-2H3/t22-/m0/s1