(3R)-N-(2-adamantyl)-3-(2-azanyl-5-chloranyl-benzimidazol-1-yl)pentanamide

Systemtic Name: (3R)-N-(2-adamantyl)-3-(2-azanyl-5-chloranyl-benzimidazol-1-yl)pentanamide Openeye Name: (3R)-N-(2-adamantyl)-3-(2-amino-5-chloro-benzimidazol-1-yl)pentanamide CAS Name: (3R)-N-(2-adamantyl)-3-(2-amino-5-chloro-1-benzimidazolyl)pentanamide IUPAC Name: (3R)-N-(2-adamantyl)-3-(2-amino-5-chlorobenzimidazol-1-yl)pentanamide Traditional Name: (3R)-N-(2-adamantyl)-3-(2-amino-5-chloro-benzimidazol-1-yl)valeramide Formula: C22H29ClN4O MolecularWeight: 400.94486

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)NC1C2CC3CC(C2)CC1C3)N4C5=C(C=C(C=C5)Cl)N=C4N

Isomeric SMILES

CC[C@H](CC(=O)NC1C2CC3CC(C2)CC1C3)N4C5=C(C=C(C=C5)Cl)N=C4N

InChI

InChI=1S/C22H29ClN4O/c1-2-17(27-19-4-3-16(23)10-18(19)25-22(27)24)11-20(28)26-21-14-6-12-5-13(8-14)9-15(21)7-12/h3-4,10,12-15,17,21H,2,5-9,11H2,1H3,(H2,24,25)(H,26,28)/t12?,13?,14?,15?,17-,21?/m1/s1