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

Systemtic Name: 1-adamantyl-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: 1-adamantyl-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: 1-adamantyl-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1-adamantyl-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: 1-adamantyl-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C30H40N4O MolecularWeight: 472.6648

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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=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C30H40N4O/c1-3-27-26(17-22-8-5-4-6-9-22)28(32-21(2)31-27)33-10-7-11-34(13-12-33)29(35)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