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

Systemtic Name: ethyl 4-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(6-ethyl-2-methyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-4-keto-butyric acid ethyl ester Formula: C26H36N4O4 MolecularWeight: 468.58844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CCC(=O)OCC)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CCC(=O)OCC)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H36N4O4/c1-5-23-22(18-20-8-10-21(33-4)11-9-20)26(28-19(3)27-23)30-15-7-14-29(16-17-30)24(31)12-13-25(32)34-6-2/h8-11H,5-7,12-18H2,1-4H3