N-(2-azanylethyl)-1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(2-cyclopentyl-2-phenyl-acetyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(2-cyclopentyl-1-oxo-2-phenylethyl)-3-[(4-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(2-cyclopentyl-2-phenylacetyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(2-cyclopentyl-2-phenyl-acetyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C27H33FN4O3 MolecularWeight: 480.574323

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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)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C27H33FN4O3/c28-22-13-11-21(12-14-22)26(34)31-17-6-18-32(25(31)24(33)30-16-15-29)27(35)23(20-9-4-5-10-20)19-7-2-1-3-8-19/h1-3,7-8,11-14,20,23,25H,4-6,9-10,15-18,29H2,(H,30,33)