1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-3,5,5-trimethyl-hexan-1-one

Systemtic Name: 1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3,5,5-trimethyl-hexan-1-one Formula: C28H42N4O MolecularWeight: 450.65928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CC(C)CC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CC(C)CC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C28H42N4O/c1-7-25-24(19-23-12-9-8-10-13-23)27(30-22(3)29-25)32-15-11-14-31(16-17-32)26(33)18-21(2)20-28(4,5)6/h8-10,12-13,21H,7,11,14-20H2,1-6H3