N2-(2-azanylethyl)-3-(2-cyclopentyl-2-phenyl-ethanoyl)-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-3-(2-cyclopentyl-2-phenyl-ethanoyl)-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-3-(2-cyclopentyl-2-phenyl-acetyl)-N1-(3-fluorophenyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-3-(2-cyclopentyl-1-oxo-2-phenylethyl)-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-3-(2-cyclopentyl-2-phenylacetyl)-1-N-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-3-(2-cyclopentyl-2-phenyl-acetyl)-N-(3-fluorophenyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C27H34FN5O3 MolecularWeight: 495.588963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)C(=O)N3CCCN(C3C(=O)NCCN)C(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)C(=O)N3CCCN(C3C(=O)NCCN)C(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C27H34FN5O3/c28-21-12-6-13-22(18-21)31-27(36)33-17-7-16-32(25(33)24(34)30-15-14-29)26(35)23(20-10-4-5-11-20)19-8-2-1-3-9-19/h1-3,6,8-9,12-13,18,20,23,25H,4-5,7,10-11,14-17,29H2,(H,30,34)(H,31,36)