4-chloranyl-6-[(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-chloranyl-6-[(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-6-[(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-6-[(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenyl-3-pyrazolidinylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-6-[(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-[(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C24H21ClN2O3 MolecularWeight: 420.88814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3CC(=C4C=C(C=CC4=O)Cl)NN3C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)[C@H]3CC(=C4C=C(C=CC4=O)Cl)NN3C5=CC=CC=C5)OC1

InChI

InChI=1S/C24H21ClN2O3/c25-17-8-9-22(28)19(14-17)20-15-21(27(26-20)18-5-2-1-3-6-18)16-7-10-23-24(13-16)30-12-4-11-29-23/h1-3,5-10,13-14,21,26H,4,11-12,15H2/t21-/m1/s1