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

Systemtic Name: N-(2-azanylethyl)-1-cyclohexylcarbonyl-3-(3-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(cyclohexanecarbonyl)-3-(3-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[cyclohexyl(oxo)methyl]-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(cyclohexanecarbonyl)-3-(3-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(cyclohexanecarbonyl)-3-m-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C22H32N4O3 MolecularWeight: 400.51448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3CCCCC3

InChI

InChI=1S/C22H32N4O3/c1-16-7-5-10-18(15-16)22(29)26-14-6-13-25(20(26)19(27)24-12-11-23)21(28)17-8-3-2-4-9-17/h5,7,10,15,17,20H,2-4,6,8-9,11-14,23H2,1H3,(H,24,27)