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

Systemtic Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(2,6-dimethyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenyl-butan-1-one Formula: C29H36N4O2 MolecularWeight: 472.62174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)OC)C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)OC)C)C

InChI

InChI=1S/C29H36N4O2/c1-5-26(24-10-7-6-8-11-24)29(34)33-17-9-16-32(18-19-33)28-27(21(2)30-22(3)31-28)20-23-12-14-25(35-4)15-13-23/h6-8,10-15,26H,5,9,16-20H2,1-4H3