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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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