2-(benzimidazol-1-yl)-1-[(3S)-3-[(3,4-dimethoxyphenyl)amino]piperidin-1-yl]ethanone

Systemtic Name: 2-(benzimidazol-1-yl)-1-[(3S)-3-[(3,4-dimethoxyphenyl)amino]piperidin-1-yl]ethanone Openeye Name: 2-(benzimidazol-1-yl)-1-[(3S)-3-(3,4-dimethoxyanilino)-1-piperidyl]ethanone CAS Name: 2-(1-benzimidazolyl)-1-[(3S)-3-(3,4-dimethoxyanilino)-1-piperidinyl]ethanone IUPAC Name: 2-(benzimidazol-1-yl)-1-[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-yl]ethanone Traditional Name: 2-(benzimidazol-1-yl)-1-[(3S)-3-(3,4-dimethoxyanilino)piperidino]ethanone Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CN3C=NC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)CN3C=NC4=CC=CC=C43)OC

InChI

InChI=1S/C22H26N4O3/c1-28-20-10-9-16(12-21(20)29-2)24-17-6-5-11-25(13-17)22(27)14-26-15-23-18-7-3-4-8-19(18)26/h3-4,7-10,12,15,17,24H,5-6,11,13-14H2,1-2H3/t17-/m0/s1