N-[2-[2-(1-adamantyl)ethyl-(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl]-N-methyl-imidazole-1-carboxamide

Systemtic Name: N-[2-[2-(1-adamantyl)ethyl-(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl]-N-methyl-imidazole-1-carboxamide Openeye Name: N-[2-[2-(1-adamantyl)ethyl-[3-(4-pyridyl)propylcarbamoyl]amino]ethyl]-N-methyl-imidazole-1-carboxamide CAS Name: N-[2-[2-(1-adamantyl)ethyl-[oxo-(3-pyridin-4-ylpropylamino)methyl]amino]ethyl]-N-methyl-1-imidazolecarboxamide IUPAC Name: N-[2-[2-(1-adamantyl)ethyl-(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl]-N-methylimidazole-1-carboxamide Traditional Name: N-[2-[2-(1-adamantyl)ethyl-[3-(4-pyridyl)propylcarbamoyl]amino]ethyl]-N-methyl-imidazole-1-carboxamide Formula: C28H40N6O2 MolecularWeight: 492.6562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=CC=NC=C4)C(=O)N5C=CN=C5

Isomeric SMILES

CN(CCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=CC=NC=C4)C(=O)N5C=CN=C5

InChI

InChI=1S/C28H40N6O2/c1-32(27(36)34-12-10-30-21-34)13-14-33(26(35)31-7-2-3-22-4-8-29-9-5-22)11-6-28-18-23-15-24(19-28)17-25(16-23)20-28/h4-5,8-10,12,21,23-25H,2-3,6-7,11,13-20H2,1H3,(H,31,35)