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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)NC4=CC(=CC=C4)Br

InChI

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