N-[(Z)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(1-methyl-2-benzimidazolyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(Z)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]-3H-phthalazine-1-carboxamide Formula: C19H16N6O2 MolecularWeight: 360.36934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NNC(=O)C2=CC=CC=C21)C3=NC4=CC=CC=C4N3C

Isomeric SMILES

C/C(=N/NC(=O)C1=NNC(=O)C2=CC=CC=C21)/C3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C19H16N6O2/c1-11(17-20-14-9-5-6-10-15(14)25(17)2)21-24-19(27)16-12-7-3-4-8-13(12)18(26)23-22-16/h3-10H,1-2H3,(H,23,26)(H,24,27)/b21-11-