3-(benzimidazol-1-yl)-1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]propan-1-one

Systemtic Name: 3-(benzimidazol-1-yl)-1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]propan-1-one Openeye Name: 3-(benzimidazol-1-yl)-1-[(3S)-3-(3,4-dimethylanilino)-1-piperidyl]propan-1-one CAS Name: 3-(1-benzimidazolyl)-1-[(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]-1-propanone IUPAC Name: 3-(benzimidazol-1-yl)-1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]propan-1-one Traditional Name: 3-(benzimidazol-1-yl)-1-[(3S)-3-(3,4-dimethylanilino)piperidino]propan-1-one Formula: C23H28N4O MolecularWeight: 376.49462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CCN3C=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)CCN3C=NC4=CC=CC=C43)C

InChI

InChI=1S/C23H28N4O/c1-17-9-10-19(14-18(17)2)25-20-6-5-12-26(15-20)23(28)11-13-27-16-24-21-7-3-4-8-22(21)27/h3-4,7-10,14,16,20,25H,5-6,11-13,15H2,1-2H3/t20-/m0/s1