N-(4-azanylcyclohexyl)-1-(3-bromophenyl)carbonyl-3-(3,4-dichlorophenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-bromophenyl)carbonyl-3-(3,4-dichlorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-bromophenyl)-oxomethyl]-3-[(3,4-dichlorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C25H27BrCl2N4O3 MolecularWeight: 582.31688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(C(N(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H27BrCl2N4O3/c26-17-4-1-3-15(13-17)24(34)31-11-2-12-32(25(35)16-5-10-20(27)21(28)14-16)23(31)22(33)30-19-8-6-18(29)7-9-19/h1,3-5,10,13-14,18-19,23H,2,6-9,11-12,29H2,(H,30,33)