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

Systemtic Name: N2-(2-azanylethyl)-3-(3-fluorophenyl)carbonyl-N1-(3-methoxyphenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-3-(3-fluorobenzoyl)-N1-(3-methoxyphenyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-3-[(3-fluorophenyl)-oxomethyl]-N1-(3-methoxyphenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-3-(3-fluorobenzoyl)-1-N-(3-methoxyphenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-3-(3-fluorobenzoyl)-N-(3-methoxyphenyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C22H26FN5O4 MolecularWeight: 443.471343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H26FN5O4/c1-32-18-8-3-7-17(14-18)26-22(31)28-12-4-11-27(20(28)19(29)25-10-9-24)21(30)15-5-2-6-16(23)13-15/h2-3,5-8,13-14,20H,4,9-12,24H2,1H3,(H,25,29)(H,26,31)