[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone

Systemtic Name: [(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone Openeye Name: [(3S)-3-(3,4-dimethylanilino)-1-piperidyl]-(2-methyl-3H-benzimidazol-5-yl)methanone CAS Name: [(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]-(2-methyl-3H-benzimidazol-5-yl)methanone IUPAC Name: [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone Traditional Name: [(3S)-3-(3,4-dimethylanilino)piperidino]-(2-methyl-3H-benzimidazol-5-yl)methanone Formula: C22H26N4O MolecularWeight: 362.46804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3=CC4=C(C=C3)N=C(N4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)C3=CC4=C(C=C3)N=C(N4)C)C

InChI

InChI=1S/C22H26N4O/c1-14-6-8-18(11-15(14)2)25-19-5-4-10-26(13-19)22(27)17-7-9-20-21(12-17)24-16(3)23-20/h6-9,11-12,19,25H,4-5,10,13H2,1-3H3,(H,23,24)/t19-/m0/s1