N-(2-azanylethyl)-1-(3-fluorophenyl)carbonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-fluorophenyl)carbonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-fluorobenzoyl)-3-(3-phenylpropanoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-fluorophenyl)-oxomethyl]-3-(1-oxo-3-phenylpropyl)-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-fluorobenzoyl)-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-fluorobenzoyl)-3-hydrocinnamoyl-hexahydropyrimidine-2-carboxamide Formula: C23H27FN4O3 MolecularWeight: 426.483883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN4O3/c24-19-9-4-8-18(16-19)23(31)28-15-5-14-27(22(28)21(30)26-13-12-25)20(29)11-10-17-6-2-1-3-7-17/h1-4,6-9,16,22H,5,10-15,25H2,(H,26,30)