2-methoxy-5-[[4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-phthalazin-1-yl]amino]benzamide

Systemtic Name: 2-methoxy-5-[[4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-phthalazin-1-yl]amino]benzamide Openeye Name: 2-methoxy-5-[[4-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-phthalazin-1-yl]amino]benzamide CAS Name: 2-methoxy-5-[[4-(4-oxo-1-cyclohexa-2,5-dienylidene)-3H-phthalazin-1-yl]amino]benzamide IUPAC Name: 2-methoxy-5-[[4-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-phthalazin-1-yl]amino]benzamide Traditional Name: 5-[[4-(4-ketocyclohexa-2,5-dien-1-ylidene)-3H-phthalazin-1-yl]amino]-2-methoxy-benzamide Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NNC(=C3C=CC(=O)C=C3)C4=CC=CC=C42)C(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NNC(=C3C=CC(=O)C=C3)C4=CC=CC=C42)C(=O)N

InChI

InChI=1S/C22H18N4O3/c1-29-19-11-8-14(12-18(19)21(23)28)24-22-17-5-3-2-4-16(17)20(25-26-22)13-6-9-15(27)10-7-13/h2-12,25H,1H3,(H2,23,28)(H,24,26)