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

Systemtic Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-2-phenoxyethanone IUPAC Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(2,6-dimethyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenoxy-ethanone Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)COC3=CC=CC=C3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)COC3=CC=CC=C3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H32N4O3/c1-20-25(18-22-10-12-23(33-3)13-11-22)27(29-21(2)28-20)31-15-7-14-30(16-17-31)26(32)19-34-24-8-5-4-6-9-24/h4-6,8-13H,7,14-19H2,1-3H3