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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-methylphenyl)carbonyl-3-pyridin-4-ylcarbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(4-methylbenzoyl)-3-(pyridine-4-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-methylphenyl)-oxomethyl]-3-[oxo(pyridin-4-yl)methyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-methylbenzoyl)-3-(pyridine-4-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-isonicotinoyl-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O3/c1-17-3-5-18(6-4-17)24(32)29-15-2-16-30(25(33)19-11-13-27-14-12-19)23(29)22(31)28-21-9-7-20(26)8-10-21/h3-6,11-14,20-21,23H,2,7-10,15-16,26H2,1H3,(H,28,31)