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

Systemtic Name: N-(2-azanylethyl)-1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-(3-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(2-cyclopentyl-2-phenyl-acetyl)-3-(3-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(2-cyclopentyl-1-oxo-2-phenylethyl)-3-[(3-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(2-cyclopentyl-2-phenylacetyl)-3-(3-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(2-cyclopentyl-2-phenyl-acetyl)-3-(3-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(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C27H33FN4O3/c28-22-13-6-12-21(18-22)26(34)31-16-7-17-32(25(31)24(33)30-15-14-29)27(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,30,33)