1-adamantyl-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: 1-adamantyl-[4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone CAS Name: 1-adamantyl-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1-adamantyl-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Traditional Name: 1-adamantyl-[4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Formula: C31H42N4O MolecularWeight: 486.69138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=C(C=C6)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=C(C=C6)C

InChI

InChI=1S/C31H42N4O/c1-4-28-27(17-23-8-6-21(2)7-9-23)29(33-22(3)32-28)34-10-5-11-35(13-12-34)30(36)31-18-24-14-25(19-31)16-26(15-24)20-31/h6-9,24-26H,4-5,10-20H2,1-3H3