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

Systemtic Name: N-(1-adamantyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(1-adamantyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(1-adamantyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Formula: C31H43N5O MolecularWeight: 501.70602

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=C(C=C6)C

Isomeric SMILES

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

InChI

InChI=1S/C31H43N5O/c1-4-28-27(17-23-8-6-21(2)7-9-23)29(33-22(3)32-28)35-10-5-11-36(13-12-35)30(37)34-31-18-24-14-25(19-31)16-26(15-24)20-31/h6-9,24-26H,4-5,10-20H2,1-3H3,(H,34,37)