N-(2-azanylethyl)-1-(3-cyclopentylpropanoyl)-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-cyclopentylpropanoyl)-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-cyclopentylpropanoyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(3-cyclopentyl-1-oxopropyl)-3-[(4-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-cyclopentylpropanoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-cyclopentylpropanoyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C22H31FN4O3 MolecularWeight: 418.504943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H31FN4O3/c23-18-9-7-17(8-10-18)22(30)27-15-3-14-26(21(27)20(29)25-13-12-24)19(28)11-6-16-4-1-2-5-16/h7-10,16,21H,1-6,11-15,24H2,(H,25,29)