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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O3/c1-17-5-2-6-18(15-17)24(32)29-13-4-14-30(25(33)19-7-3-12-27-16-19)23(29)22(31)28-21-10-8-20(26)9-11-21/h2-3,5-7,12,15-16,20-21,23H,4,8-11,13-14,26H2,1H3,(H,28,31)