N2-(4-azanylcyclohexyl)-N1-(3-bromophenyl)-3-(3-methylphenyl)carbonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-(3-bromophenyl)-3-(3-methylphenyl)carbonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-N1-(3-bromophenyl)-3-(3-methylbenzoyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-(3-bromophenyl)-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-1-N-(3-bromophenyl)-3-(3-methylbenzoyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-N-(3-bromophenyl)-3-m-toluoyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C26H32BrN5O3 MolecularWeight: 542.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C26H32BrN5O3/c1-17-5-2-6-18(15-17)25(34)31-13-4-14-32(26(35)30-22-8-3-7-19(27)16-22)24(31)23(33)29-21-11-9-20(28)10-12-21/h2-3,5-8,15-16,20-21,24H,4,9-14,28H2,1H3,(H,29,33)(H,30,35)