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

Systemtic Name: N-(2-azanylethyl)-1-cyclohexylcarbonyl-3-(4-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(cyclohexanecarbonyl)-3-(4-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[cyclohexyl(oxo)methyl]-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(cyclohexanecarbonyl)-3-(4-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(cyclohexanecarbonyl)-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O3/c1-16-8-10-18(11-9-16)22(29)26-15-5-14-25(20(26)19(27)24-13-12-23)21(28)17-6-3-2-4-7-17/h8-11,17,20H,2-7,12-15,23H2,1H3,(H,24,27)