(7E)-2-[3-(dimethylamino)propyl]-7-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]-3H-phthalazin-1-one

Systemtic Name: (7E)-2-[3-(dimethylamino)propyl]-7-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]-3H-phthalazin-1-one Openeye Name: (7E)-2-[3-(dimethylamino)propyl]-7-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-3H-phthalazin-1-one CAS Name: (7E)-2-[3-(dimethylamino)propyl]-7-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-3H-phthalazin-1-one IUPAC Name: (7E)-2-[3-(dimethylamino)propyl]-7-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-3H-phthalazin-1-one Traditional Name: (7E)-2-[3-(dimethylamino)propyl]-7-[2-(4-ketocyclohexa-2,5-dien-1-ylidene)ethylidene]-3H-phthalazin-1-one Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C(=O)C2=CC(=CC=C3C=CC(=O)C=C3)C=CC2=CN1

Isomeric SMILES

CN(C)CCCN1C(=O)C2=C/C(=C/C=C3C=CC(=O)C=C3)/C=CC2=CN1

InChI

InChI=1S/C21H23N3O2/c1-23(2)12-3-13-24-21(26)20-14-17(6-9-18(20)15-22-24)5-4-16-7-10-19(25)11-8-16/h4-11,14-15,22H,3,12-13H2,1-2H3/b17-5+