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

Systemtic Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]decan-1-one Openeye Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]decan-1-one CAS Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-decanone IUPAC Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]decan-1-one Traditional Name: 1-[4-(2,6-dimethyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]decan-1-one Formula: C29H44N4O2 MolecularWeight: 480.68526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N4O2/c1-5-6-7-8-9-10-11-13-28(34)32-18-12-19-33(21-20-32)29-27(23(2)30-24(3)31-29)22-25-14-16-26(35-4)17-15-25/h14-17H,5-13,18-22H2,1-4H3