1-[(2S)-2-azanylpropyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonyl-benzimidazol-2-one

Systemtic Name: 1-[(2S)-2-azanylpropyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonyl-benzimidazol-2-one Openeye Name: 1-[(2S)-2-aminopropyl]-3-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]benzimidazol-2-one CAS Name: 1-[(2S)-2-aminopropyl]-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxomethyl]-2-benzimidazolone IUPAC Name: 1-[(2S)-2-aminopropyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]benzimidazol-2-one Traditional Name: 1-[(2S)-2-aminopropyl]-3-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]benzimidazol-2-one Formula: C21H31N3O2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C(=O)N2C3=CC=CC=C3N(C2=O)CC(C)N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)N2C3=CC=CC=C3N(C2=O)C[C@H](C)N)C(C)C

InChI

InChI=1S/C21H31N3O2/c1-13(2)16-10-9-14(3)11-17(16)20(25)24-19-8-6-5-7-18(19)23(21(24)26)12-15(4)22/h5-8,13-17H,9-12,22H2,1-4H3/t14-,15+,16+,17-/m1/s1