2-(3,4-dimethoxyphenyl)-1-(4-pyrimidin-5-ylcarbonyl-1,4-diazepan-1-yl)ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-(4-pyrimidin-5-ylcarbonyl-1,4-diazepan-1-yl)ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)-1-[4-(pyrimidine-5-carbonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-[4-[oxo(5-pyrimidinyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-[4-(pyrimidine-5-carbonyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(3,4-dimethoxyphenyl)-1-[4-(pyrimidine-5-carbonyl)-1,4-diazepan-1-yl]ethanone Formula: C20H24N4O4 MolecularWeight: 384.42896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCCN(CC2)C(=O)C3=CN=CN=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCCN(CC2)C(=O)C3=CN=CN=C3)OC

InChI

InChI=1S/C20H24N4O4/c1-27-17-5-4-15(10-18(17)28-2)11-19(25)23-6-3-7-24(9-8-23)20(26)16-12-21-14-22-13-16/h4-5,10,12-14H,3,6-9,11H2,1-2H3