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

Systemtic Name: N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[3-(3,5-dimethylbenzyl)-2-keto-hexahydropyrimidin-1-yl]phenyl]-4-methyl-3-nitro-benzamide Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2N3CCCN(C3=O)CC4=CC(=CC(=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2N3CCCN(C3=O)CC4=CC(=CC(=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O4/c1-18-13-19(2)15-21(14-18)17-29-11-6-12-30(27(29)33)24-8-5-4-7-23(24)28-26(32)22-10-9-20(3)25(16-22)31(34)35/h4-5,7-10,13-16H,6,11-12,17H2,1-3H3,(H,28,32)