3-(1-adamantylcarbamoylamino)-N-[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]propionamide Formula: C29H35N5O2 MolecularWeight: 485.6205

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)NC(CC4=CC=CC=C4)C5=NC6=CC=CC=C6N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)NC(CC4=CC=CC=C4)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C29H35N5O2/c35-26(10-11-30-28(36)34-29-16-20-12-21(17-29)14-22(13-20)18-29)31-25(15-19-6-2-1-3-7-19)27-32-23-8-4-5-9-24(23)33-27/h1-9,20-22,25H,10-18H2,(H,31,35)(H,32,33)(H2,30,34,36)