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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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