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

Systemtic Name: N-(4-azanylcyclohexyl)-1-cyclohexylcarbonyl-3-(3-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(cyclohexanecarbonyl)-3-(3-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[cyclohexyl(oxo)methyl]-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(cyclohexanecarbonyl)-3-(3-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(cyclohexanecarbonyl)-3-m-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C26H38N4O3 MolecularWeight: 454.60492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4CCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4CCCCC4

InChI

InChI=1S/C26H38N4O3/c1-18-7-5-10-20(17-18)26(33)30-16-6-15-29(25(32)19-8-3-2-4-9-19)24(30)23(31)28-22-13-11-21(27)12-14-22/h5,7,10,17,19,21-22,24H,2-4,6,8-9,11-16,27H2,1H3,(H,28,31)