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

Systemtic Name: N-[4-[(2R)-butan-2-yl]phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[4-[(1R)-1-methylpropyl]phenyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[4-[(2R)-butan-2-yl]phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[4-[(2R)-butan-2-yl]phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[4-[(1R)-1-methylpropyl]phenyl]phthalazine-1-carboxamide Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)[C@H](C)CC

InChI

InChI=1S/C24H29N3O2/c1-4-6-9-16-27-24(29)21-11-8-7-10-20(21)22(26-27)23(28)25-19-14-12-18(13-15-19)17(3)5-2/h7-8,10-15,17H,4-6,9,16H2,1-3H3,(H,25,28)/t17-/m1/s1