(6Z)-6-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethanoyl-pyrazolidin-3-ylidene]-3-phenylmethoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethanoyl-pyrazolidin-3-ylidene]-3-phenylmethoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[1-acetyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazolidin-3-ylidene]-3-benzyloxy-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[1-acetyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pyrazolidinylidene]-3-phenylmethoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[1-acetyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazolidin-3-ylidene]-3-phenylmethoxycyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[1-acetyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazolidin-3-ylidene]-3-benzoxy-cyclohexa-2,4-dien-1-one Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=C2C=CC(=CC2=O)OCC3=CC=CC=C3)N1)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC(=O)N1C(C/C(=C/2\C=CC(=CC2=O)OCC3=CC=CC=C3)/N1)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C27H26N2O5/c1-18(30)29-24(20-8-11-26-27(14-20)33-13-5-12-32-26)16-23(28-29)22-10-9-21(15-25(22)31)34-17-19-6-3-2-4-7-19/h2-4,6-11,14-15,24,28H,5,12-13,16-17H2,1H3/b23-22-