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

Systemtic Name: 4-[[2-[(1S)-1-azanylpropyl]-5,6-dimethyl-benzimidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-[(1S)-1-aminopropyl]-5,6-dimethyl-benzimidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[2-[(1S)-1-aminopropyl]-5,6-dimethyl-1-benzimidazolyl]methyl]benzonitrile IUPAC Name: 4-[[2-[(1S)-1-aminopropyl]-5,6-dimethylbenzimidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[2-[(1S)-1-aminopropyl]-5,6-dimethyl-benzimidazol-1-yl]methyl]benzonitrile Formula: C20H22N4 MolecularWeight: 318.41548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(N1CC3=CC=C(C=C3)C#N)C=C(C(=C2)C)C)N

Isomeric SMILES

CC[C@@H](C1=NC2=C(N1CC3=CC=C(C=C3)C#N)C=C(C(=C2)C)C)N

InChI

InChI=1S/C20H22N4/c1-4-17(22)20-23-18-9-13(2)14(3)10-19(18)24(20)12-16-7-5-15(11-21)6-8-16/h5-10,17H,4,12,22H2,1-3H3/t17-/m0/s1