N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CC=C3OC)N(C)C

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H](C3=CC=CC=C3OC)N(C)C

InChI

InChI=1S/C21H24N4O3/c1-24(2)17(16-11-7-8-12-18(16)28-4)13-22-20(26)19-14-9-5-6-10-15(14)21(27)25(3)23-19/h5-12,17H,13H2,1-4H3,(H,22,26)/t17-/m1/s1