2-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-ethyl]-4-methyl-phthalazin-1-one CAS Name: 2-[2-[2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-2-oxoethyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one Traditional Name: 2-[2-[2-(1H-benzimidazol-2-yl)pyrrolidino]-2-keto-ethyl]-4-methyl-phthalazin-1-one Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCCC3C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCCC3C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H21N5O2/c1-14-15-7-2-3-8-16(15)22(29)27(25-14)13-20(28)26-12-6-11-19(26)21-23-17-9-4-5-10-18(17)24-21/h2-5,7-10,19H,6,11-13H2,1H3,(H,23,24)