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

Systemtic Name: N2-(4-azanylcyclohexyl)-3-(3-bromophenyl)carbonyl-N1-(4-methoxyphenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-3-(3-bromobenzoyl)-N1-(4-methoxyphenyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-3-[(3-bromophenyl)-oxomethyl]-N1-(4-methoxyphenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-(3-bromobenzoyl)-1-N-(4-methoxyphenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-3-(3-bromobenzoyl)-N-(4-methoxyphenyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C26H32BrN5O4 MolecularWeight: 558.46738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H32BrN5O4/c1-36-22-12-10-21(11-13-22)30-26(35)32-15-3-14-31(25(34)17-4-2-5-18(27)16-17)24(32)23(33)29-20-8-6-19(28)7-9-20/h2,4-5,10-13,16,19-20,24H,3,6-9,14-15,28H2,1H3,(H,29,33)(H,30,35)