[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone

Systemtic Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-(3,4-dimethoxyphenyl)methanone Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C20H21N3O3/c1-25-17-10-9-13(12-18(17)26-2)20(24)23-11-5-8-16(23)19-21-14-6-3-4-7-15(14)22-19/h3-4,6-7,9-10,12,16H,5,8,11H2,1-2H3,(H,21,22)/t16-/m0/s1