N-(1-adamantyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(1-adamantyl)-4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(1-adamantyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(1-adamantyl)-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(1-adamantyl)-4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C30H41N5O MolecularWeight: 487.67944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6

InChI

InChI=1S/C30H41N5O/c1-3-27-26(17-22-8-5-4-6-9-22)28(32-21(2)31-27)34-10-7-11-35(13-12-34)29(36)33-30-18-23-14-24(19-30)16-25(15-23)20-30/h4-6,8-9,23-25H,3,7,10-20H2,1-2H3,(H,33,36)