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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(2,4-dichlorophenyl)carbonyl-3-(4-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-(4-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(2,4-dichlorophenyl)-oxomethyl]-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-(4-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C26H30Cl2N4O3 MolecularWeight: 517.4474

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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)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H30Cl2N4O3/c1-16-3-5-17(6-4-16)25(34)31-13-2-14-32(26(35)21-12-7-18(27)15-22(21)28)24(31)23(33)30-20-10-8-19(29)9-11-20/h3-7,12,15,19-20,24H,2,8-11,13-14,29H2,1H3,(H,30,33)