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

Systemtic Name: 1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]hexan-1-one Openeye Name: 1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]hexan-1-one CAS Name: 1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-hexanone IUPAC Name: 1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]hexan-1-one Traditional Name: 1-[4-(6-ethyl-2-methyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one Formula: C26H38N4O2 MolecularWeight: 438.60552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N4O2/c1-5-7-8-10-25(31)29-15-9-16-30(18-17-29)26-23(24(6-2)27-20(3)28-26)19-21-11-13-22(32-4)14-12-21/h11-14H,5-10,15-19H2,1-4H3