N2-(4-azanylcyclohexyl)-N1-(3-fluorophenyl)-N3-prop-2-enyl-1,3-diazinane-1,2,3-tricarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-(3-fluorophenyl)-N3-prop-2-enyl-1,3-diazinane-1,2,3-tricarboxamide Openeye Name: N3-allyl-N2-(4-aminocyclohexyl)-N1-(3-fluorophenyl)hexahydropyrimidine-1,2,3-tricarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-(3-fluorophenyl)-N3-prop-2-enyl-1,3-diazinane-1,2,3-tricarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-N-prop-2-enyl-1,3-diazinane-1,2,3-tricarboxamide Traditional Name: N3-allyl-N2-(4-aminocyclohexyl)-N1-(3-fluorophenyl)hexahydropyrimidine-1,2,3-tricarboxamide Formula: C22H31FN6O3 MolecularWeight: 446.518343

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)C(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C=CCNC(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)C(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C22H31FN6O3/c1-2-11-25-21(31)28-12-4-13-29(22(32)27-18-6-3-5-15(23)14-18)20(28)19(30)26-17-9-7-16(24)8-10-17/h2-3,5-6,14,16-17,20H,1,4,7-13,24H2,(H,25,31)(H,26,30)(H,27,32)