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

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[3-(2-methylpyrimidin-4-yl)phenyl]phthalazine-1-carboxamide Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C4=NC(=NC=C4)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C4=NC(=NC=C4)C

InChI

InChI=1S/C25H25N5O2/c1-3-4-7-15-30-25(32)21-12-6-5-11-20(21)23(29-30)24(31)28-19-10-8-9-18(16-19)22-13-14-26-17(2)27-22/h5-6,8-14,16H,3-4,7,15H2,1-2H3,(H,28,31)