1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-methylphenoxy)propan-1-one

Systemtic Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-methylphenoxy)propan-1-one Openeye Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-methylphenoxy)propan-1-one CAS Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-3-(4-methylphenoxy)-1-propanone IUPAC Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-methylphenoxy)propan-1-one Traditional Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-3-(4-methylphenoxy)propan-1-one Formula: C21H23N3O2 MolecularWeight: 349.42622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCC(=O)N2CCCC2C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)OCCC(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N3O2/c1-15-8-10-16(11-9-15)26-14-12-20(25)24-13-4-7-19(24)21-22-17-5-2-3-6-18(17)23-21/h2-3,5-6,8-11,19H,4,7,12-14H2,1H3,(H,22,23)/t19-/m0/s1