1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-(6-ethyl-2-methyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one Formula: C26H38N4O2 MolecularWeight: 438.60552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N4O2/c1-7-23-22(17-20-9-11-21(32-6)12-10-20)25(28-19(2)27-23)30-14-8-13-29(15-16-30)24(31)18-26(3,4)5/h9-12H,7-8,13-18H2,1-6H3