N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-(2-methylpyrimidin-4-yl)phenyl]-3H-phthalazine-1-carboxamide Formula: C20H15N5O2 MolecularWeight: 357.3654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H15N5O2/c1-12-21-10-9-17(22-12)13-5-4-6-14(11-13)23-20(27)18-15-7-2-3-8-16(15)19(26)25-24-18/h2-11H,1H3,(H,23,27)(H,25,26)