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

Systemtic Name: N-(2-azanylethyl)-1-cyclohexylcarbonyl-3-(3-methoxyphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(cyclohexanecarbonyl)-3-(3-methoxybenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[cyclohexyl(oxo)methyl]-3-[(3-methoxyphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(cyclohexanecarbonyl)-3-(3-methoxybenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(cyclohexanecarbonyl)-3-m-anisoyl-hexahydropyrimidine-2-carboxamide Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3CCCCC3

InChI

InChI=1S/C22H32N4O4/c1-30-18-10-5-9-17(15-18)22(29)26-14-6-13-25(20(26)19(27)24-12-11-23)21(28)16-7-3-2-4-8-16/h5,9-10,15-16,20H,2-4,6-8,11-14,23H2,1H3,(H,24,27)