(3S)-1-(2-methylphenyl)-5-oxidanylidene-N-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-(2-methylphenyl)-5-oxidanylidene-N-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(o-tolyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide CAS Name: (3S)-1-(2-methylphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(2-methylphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-N-[(4-keto-3H-phthalazin-1-yl)methyl]-1-(o-tolyl)pyrrolidine-3-carboxamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC(CC2=O)C(=O)NCC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)NCC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H20N4O3/c1-13-6-2-5-9-18(13)25-12-14(10-19(25)26)20(27)22-11-17-15-7-3-4-8-16(15)21(28)24-23-17/h2-9,14H,10-12H2,1H3,(H,22,27)(H,24,28)/t14-/m0/s1