N-[4-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[4-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[4-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-[3-(3,5-dimethoxybenzyl)-2-keto-hexahydropyrimidin-1-yl]phenyl]-4-methyl-3-nitro-benzamide Formula: C27H28N4O6 MolecularWeight: 504.53442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCN(C3=O)CC4=CC(=CC(=C4)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCN(C3=O)CC4=CC(=CC(=C4)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O6/c1-18-5-6-20(15-25(18)31(34)35)26(32)28-21-7-9-22(10-8-21)30-12-4-11-29(27(30)33)17-19-13-23(36-2)16-24(14-19)37-3/h5-10,13-16H,4,11-12,17H2,1-3H3,(H,28,32)