N2-(2-azanylethyl)-3-(3-fluorophenyl)carbonyl-N1-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-3-(3-fluorophenyl)carbonyl-N1-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-3-(3-fluorobenzoyl)-N1-(p-tolyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-3-[(3-fluorophenyl)-oxomethyl]-N1-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-3-(3-fluorobenzoyl)-N-(p-tolyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C22H26FN5O3 MolecularWeight: 427.471943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H26FN5O3/c1-15-6-8-18(9-7-15)26-22(31)28-13-3-12-27(20(28)19(29)25-11-10-24)21(30)16-4-2-5-17(23)14-16/h2,4-9,14,20H,3,10-13,24H2,1H3,(H,25,29)(H,26,31)