N2-(4-azanylcyclohexyl)-3-(3-fluorophenyl)carbonyl-N1-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-3-(3-fluorophenyl)carbonyl-N1-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N1-allyl-N2-(4-aminocyclohexyl)-3-(3-fluorobenzoyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-3-[(3-fluorophenyl)-oxomethyl]-N1-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-(3-fluorobenzoyl)-1-N-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide Traditional Name: N-allyl-N'-(4-aminocyclohexyl)-3-(3-fluorobenzoyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C22H30FN5O3 MolecularWeight: 431.503703

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C=CCNC(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H30FN5O3/c1-2-11-25-22(31)28-13-4-12-27(21(30)15-5-3-6-16(23)14-15)20(28)19(29)26-18-9-7-17(24)8-10-18/h2-3,5-6,14,17-18,20H,1,4,7-13,24H2,(H,25,31)(H,26,29)