N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=O)C2=NNC(=O)C3=CC=CC=C32)N(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CNC(=O)C2=NNC(=O)C3=CC=CC=C32)N(C)C

InChI

InChI=1S/C21H24N4O2/c1-4-14-9-11-15(12-10-14)18(25(2)3)13-22-21(27)19-16-7-5-6-8-17(16)20(26)24-23-19/h5-12,18H,4,13H2,1-3H3,(H,22,27)(H,24,26)/t18-/m0/s1