4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]carbonyl-2-methyl-phthalazin-1-one

Systemtic Name: 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC3C4=NC5=CC=CC=C5N4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC[C@H]3C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H19N5O2/c1-25-20(27)14-8-3-2-7-13(14)18(24-25)21(28)26-12-6-11-17(26)19-22-15-9-4-5-10-16(15)23-19/h2-5,7-10,17H,6,11-12H2,1H3,(H,22,23)/t17-/m0/s1