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

Systemtic Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]nonan-1-one Openeye Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]nonan-1-one CAS Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-nonanone IUPAC Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]nonan-1-one Traditional Name: 1-[4-(2,6-dimethyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]nonan-1-one Formula: C28H42N4O2 MolecularWeight: 466.65868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)OC)C)C

Isomeric SMILES

CCCCCCCCC(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)OC)C)C

InChI

InChI=1S/C28H42N4O2/c1-5-6-7-8-9-10-12-27(33)31-17-11-18-32(20-19-31)28-26(22(2)29-23(3)30-28)21-24-13-15-25(34-4)16-14-24/h13-16H,5-12,17-21H2,1-4H3