3-(2-azanylethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonyl-2-oxidanylidene-N-pyridin-4-yl-benzimidazole-5-carboxamide

Systemtic Name: 3-(2-azanylethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonyl-2-oxidanylidene-N-pyridin-4-yl-benzimidazole-5-carboxamide Openeye Name: 3-(2-aminoethyl)-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]-2-oxo-N-(4-pyridyl)benzimidazole-5-carboxamide CAS Name: 3-(2-aminoethyl)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxomethyl]-2-oxo-N-pyridin-4-yl-5-benzimidazolecarboxamide IUPAC Name: 3-(2-aminoethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]-2-oxo-N-pyridin-4-ylbenzimidazole-5-carboxamide Traditional Name: 3-(2-aminoethyl)-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]-2-keto-N-(4-pyridyl)benzimidazole-5-carboxamide Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C(=O)N2C3=C(C=C(C=C3)C(=O)NC4=CC=NC=C4)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)NC4=CC=NC=C4)N(C2=O)CCN)C(C)C

InChI

InChI=1S/C26H33N5O3/c1-16(2)20-6-4-17(3)14-21(20)25(33)31-22-7-5-18(15-23(22)30(13-10-27)26(31)34)24(32)29-19-8-11-28-12-9-19/h5,7-9,11-12,15-17,20-21H,4,6,10,13-14,27H2,1-3H3,(H,28,29,32)/t17-,20+,21-/m1/s1