2-(2-ethylbenzimidazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]ethanone

Systemtic Name: 2-(2-ethylbenzimidazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]ethanone Openeye Name: 2-(2-ethylbenzimidazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]ethanone CAS Name: 2-(2-ethyl-1-benzimidazolyl)-1-[(2S)-2-(4-methoxyphenyl)-1-azepanyl]ethanone IUPAC Name: 2-(2-ethylbenzimidazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]ethanone Traditional Name: 2-(2-ethylbenzimidazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]ethanone Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N1CC(=O)N3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=NC2=CC=CC=C2N1CC(=O)N3CCCCC[C@H]3C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H29N3O2/c1-3-23-25-20-9-6-7-11-22(20)27(23)17-24(28)26-16-8-4-5-10-21(26)18-12-14-19(29-2)15-13-18/h6-7,9,11-15,21H,3-5,8,10,16-17H2,1-2H3/t21-/m0/s1