3-(2-methylbenzimidazol-1-yl)-1-[(3S)-3-[methyl(phenethyl)amino]piperidin-1-yl]propan-1-one

Systemtic Name: 3-(2-methylbenzimidazol-1-yl)-1-[(3S)-3-[methyl(phenethyl)amino]piperidin-1-yl]propan-1-one Openeye Name: 3-(2-methylbenzimidazol-1-yl)-1-[(3S)-3-[methyl(phenethyl)amino]-1-piperidyl]propan-1-one CAS Name: 3-(2-methyl-1-benzimidazolyl)-1-[(3S)-3-[methyl(phenethyl)amino]-1-piperidinyl]-1-propanone IUPAC Name: 3-(2-methylbenzimidazol-1-yl)-1-[(3S)-3-[methyl(phenethyl)amino]piperidin-1-yl]propan-1-one Traditional Name: 3-(2-methylbenzimidazol-1-yl)-1-[(3S)-3-[methyl(phenethyl)amino]piperidino]propan-1-one Formula: C25H32N4O MolecularWeight: 404.54778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCC(=O)N3CCCC(C3)N(C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCC(=O)N3CCC[C@@H](C3)N(C)CCC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O/c1-20-26-23-12-6-7-13-24(23)29(20)18-15-25(30)28-16-8-11-22(19-28)27(2)17-14-21-9-4-3-5-10-21/h3-7,9-10,12-13,22H,8,11,14-19H2,1-2H3/t22-/m0/s1