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

Systemtic Name: 2-ethyl-1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]hexan-1-one Openeye Name: 2-ethyl-1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]hexan-1-one CAS Name: 2-ethyl-1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-hexanone IUPAC Name: 2-ethyl-1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]hexan-1-one Traditional Name: 1-[4-(2,6-dimethyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-ethyl-hexan-1-one Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O2/c1-6-8-10-23(7-2)27(32)31-16-9-15-30(17-18-31)26-25(20(3)28-21(4)29-26)19-22-11-13-24(33-5)14-12-22/h11-14,23H,6-10,15-19H2,1-5H3