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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-methylphenyl)carbonyl-3-pyridin-4-ylcarbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-4-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-methylphenyl)-oxomethyl]-3-[oxo(pyridin-4-yl)methyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-4-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-isonicotinoyl-3-m-toluoyl-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=CC=NC=C4

Isomeric SMILES

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

InChI

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