2-[3-(2-azanylethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonyl-2-oxidanylidene-benzimidazol-5-yl]oxyethanenitrile

Systemtic Name: 2-[3-(2-azanylethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonyl-2-oxidanylidene-benzimidazol-5-yl]oxyethanenitrile Openeye Name: 2-[3-(2-aminoethyl)-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]-2-oxo-benzimidazol-5-yl]oxyacetonitrile CAS Name: 2-[[3-(2-aminoethyl)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxomethyl]-2-oxo-5-benzimidazolyl]oxy]acetonitrile IUPAC Name: 2-[3-(2-aminoethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]-2-oxobenzimidazol-5-yl]oxyacetonitrile Traditional Name: 2-[3-(2-aminoethyl)-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]-2-keto-benzimidazol-5-yl]oxyacetonitrile Formula: C22H30N4O3 MolecularWeight: 398.4986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C(=O)N2C3=C(C=C(C=C3)OCC#N)N(C2=O)CCN)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)N2C3=C(C=C(C=C3)OCC#N)N(C2=O)CCN)C(C)C

InChI

InChI=1S/C22H30N4O3/c1-14(2)17-6-4-15(3)12-18(17)21(27)26-19-7-5-16(29-11-9-24)13-20(19)25(10-8-23)22(26)28/h5,7,13-15,17-18H,4,6,8,10-12,23H2,1-3H3/t15-,17+,18-/m1/s1