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

Systemtic Name: N2-(2-azanylethyl)-N1-(3-fluorophenyl)-3-(3-phenylpropanoyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(3-fluorophenyl)-3-(3-phenylpropanoyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(3-fluorophenyl)-3-(1-oxo-3-phenylpropyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-(3-phenylpropanoyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-(3-fluorophenyl)-3-hydrocinnamoyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C23H28FN5O3 MolecularWeight: 441.498523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)NC2=CC(=CC=C2)F)C(=O)NCCN)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(N(C1)C(=O)NC2=CC(=CC=C2)F)C(=O)NCCN)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H28FN5O3/c24-18-8-4-9-19(16-18)27-23(32)29-15-5-14-28(22(29)21(31)26-13-12-25)20(30)11-10-17-6-2-1-3-7-17/h1-4,6-9,16,22H,5,10-15,25H2,(H,26,31)(H,27,32)