N-[2-[(2R)-butan-2-yl]phenyl]-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(2R)-butan-2-yl]phenyl]-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-hexyl-N-[2-[(1R)-1-methylpropyl]phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[(2R)-butan-2-yl]phenyl]-3-hexyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-[(2R)-butan-2-yl]phenyl]-3-hexyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-hexyl-4-keto-N-[2-[(1R)-1-methylpropyl]phenyl]phthalazine-1-carboxamide Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3C(C)CC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3[C@H](C)CC

InChI

InChI=1S/C25H31N3O2/c1-4-6-7-12-17-28-25(30)21-15-9-8-14-20(21)23(27-28)24(29)26-22-16-11-10-13-19(22)18(3)5-2/h8-11,13-16,18H,4-7,12,17H2,1-3H3,(H,26,29)/t18-/m1/s1