4-[7-[(E)-6-oxidanylhept-1-enyl]-2H-isoquinolin-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[7-[(E)-6-oxidanylhept-1-enyl]-2H-isoquinolin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[7-[(E)-6-hydroxyhept-1-enyl]-2H-isoquinolin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[7-[(E)-6-hydroxyhept-1-enyl]-2H-isoquinolin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[7-[(E)-6-hydroxyhept-1-enyl]-2H-isoquinolin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[7-[(E)-6-hydroxyhept-1-enyl]-2H-isoquinolin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC=CC1=CC2=CNC(=C3C=CC(=O)C=C3)C=C2C=C1)O

Isomeric SMILES

CC(CCC/C=C/C1=CC2=CNC(=C3C=CC(=O)C=C3)C=C2C=C1)O

InChI

InChI=1S/C22H23NO2/c1-16(24)5-3-2-4-6-17-7-8-19-14-22(23-15-20(19)13-17)18-9-11-21(25)12-10-18/h4,6-16,23-24H,2-3,5H2,1H3/b6-4+