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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-fluorophenyl)carbonyl-3-pyridin-3-ylcarbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-fluorobenzoyl)-3-(pyridine-3-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-fluorophenyl)-oxomethyl]-3-[oxo(3-pyridinyl)methyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-fluorobenzoyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3-fluorobenzoyl)-3-nicotinoyl-hexahydropyrimidine-2-carboxamide Formula: C24H28FN5O3 MolecularWeight: 453.509223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)C2=CN=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CN(C(N(C1)C(=O)C2=CN=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C24H28FN5O3/c25-18-6-1-4-16(14-18)23(32)29-12-3-13-30(24(33)17-5-2-11-27-15-17)22(29)21(31)28-20-9-7-19(26)8-10-20/h1-2,4-6,11,14-15,19-20,22H,3,7-10,12-13,26H2,(H,28,31)