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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32BrN5O3/c1-17-5-2-8-22(15-17)30-26(35)32-14-4-13-31(25(34)18-6-3-7-19(27)16-18)24(32)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)