4-[[2-[(1S)-1-azanylpropyl]-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[(1S)-1-azanylpropyl]-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-[(1S)-1-aminopropyl]-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[2-[(1S)-1-aminopropyl]-5,6-dimethoxy-1-benzimidazolyl]methyl]benzonitrile IUPAC Name: 4-[[2-[(1S)-1-aminopropyl]-5,6-dimethoxybenzimidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[2-[(1S)-1-aminopropyl]-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzonitrile Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC(=C(C=C2N1CC3=CC=C(C=C3)C#N)OC)OC)N

Isomeric SMILES

CC[C@@H](C1=NC2=CC(=C(C=C2N1CC3=CC=C(C=C3)C#N)OC)OC)N

InChI

InChI=1S/C20H22N4O2/c1-4-15(22)20-23-16-9-18(25-2)19(26-3)10-17(16)24(20)12-14-7-5-13(11-21)6-8-14/h5-10,15H,4,12,22H2,1-3H3/t15-/m0/s1