1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(1,3-benzodioxol-5-yl)propan-1-one

Systemtic Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(1,3-benzodioxol-5-yl)propan-1-one Openeye Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(1,3-benzodioxol-5-yl)propan-1-one CAS Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-3-(1,3-benzodioxol-5-yl)-1-propanone IUPAC Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(1,3-benzodioxol-5-yl)propan-1-one Traditional Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-3-(1,3-benzodioxol-5-yl)propan-1-one Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H21N3O3/c25-20(10-8-14-7-9-18-19(12-14)27-13-26-18)24-11-3-6-17(24)21-22-15-4-1-2-5-16(15)23-21/h1-2,4-5,7,9,12,17H,3,6,8,10-11,13H2,(H,22,23)/t17-/m0/s1