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

Systemtic Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(2S)-2-(dimethylamino)-2-(3-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=C3)OC)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c1-24(2)18(14-8-7-9-15(12-14)28-4)13-22-20(26)19-16-10-5-6-11-17(16)21(27)25(3)23-19/h5-12,18H,13H2,1-4H3,(H,22,26)/t18-/m1/s1