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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-chlorophenyl)carbonyl-3-(4-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(4-chlorobenzoyl)-3-(4-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-chlorophenyl)-oxomethyl]-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-chlorobenzoyl)-3-(4-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(4-chlorobenzoyl)-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C26H31ClN4O3 MolecularWeight: 483.00234

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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=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN4O3/c1-17-3-5-18(6-4-17)25(33)30-15-2-16-31(26(34)19-7-9-20(27)10-8-19)24(30)23(32)29-22-13-11-21(28)12-14-22/h3-10,21-22,24H,2,11-16,28H2,1H3,(H,29,32)