2-[[2-[(1S)-1-azanylbutyl]-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[(1S)-1-azanylbutyl]-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(1S)-1-aminobutyl]-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(1S)-1-aminobutyl]-5,6-dimethoxy-1-benzimidazolyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(1S)-1-aminobutyl]-5,6-dimethoxybenzimidazol-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(1S)-1-aminobutyl]-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzonitrile Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC2=CC(=C(C=C2N1CC3=CC=CC=C3C#N)OC)OC)N

Isomeric SMILES

CCC[C@@H](C1=NC2=CC(=C(C=C2N1CC3=CC=CC=C3C#N)OC)OC)N

InChI

InChI=1S/C21H24N4O2/c1-4-7-16(23)21-24-17-10-19(26-2)20(27-3)11-18(17)25(21)13-15-9-6-5-8-14(15)12-22/h5-6,8-11,16H,4,7,13,23H2,1-3H3/t16-/m0/s1