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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30Cl2N4O3/c1-16-4-2-5-17(14-16)25(34)31-12-3-13-32(26(35)21-11-6-18(27)15-22(21)28)24(31)23(33)30-20-9-7-19(29)8-10-20/h2,4-6,11,14-15,19-20,24H,3,7-10,12-13,29H2,1H3,(H,30,33)