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

Systemtic Name: 3-(2-azanylethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonyl-2-oxidanylidene-benzimidazole-5-carboxamide Openeye Name: 3-(2-aminoethyl)-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]-2-oxo-benzimidazole-5-carboxamide CAS Name: 3-(2-aminoethyl)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxomethyl]-2-oxo-5-benzimidazolecarboxamide IUPAC Name: 3-(2-aminoethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]-2-oxobenzimidazole-5-carboxamide Traditional Name: 3-(2-aminoethyl)-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]-2-keto-benzimidazole-5-carboxamide Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H30N4O3/c1-12(2)15-6-4-13(3)10-16(15)20(27)25-17-7-5-14(19(23)26)11-18(17)24(9-8-22)21(25)28/h5,7,11-13,15-16H,4,6,8-10,22H2,1-3H3,(H2,23,26)/t13-,15+,16-/m1/s1