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

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-propyl-phthalazine-1-carboxamide Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C4=NC(=NC=C4)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C4=NC(=NC=C4)C

InChI

InChI=1S/C23H21N5O2/c1-3-13-28-23(30)19-10-5-4-9-18(19)21(27-28)22(29)26-17-8-6-7-16(14-17)20-11-12-24-15(2)25-20/h4-12,14H,3,13H2,1-2H3,(H,26,29)