2,5-bis(fluoranyl)-N-(3-methylbutyl)-N-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]benzamide

Systemtic Name: 2,5-bis(fluoranyl)-N-(3-methylbutyl)-N-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]benzamide Openeye Name: 2,5-difluoro-N-isopentyl-N-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]benzamide CAS Name: 2,5-difluoro-N-(3-methylbutyl)-N-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]benzamide IUPAC Name: 2,5-difluoro-N-(3-methylbutyl)-N-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]benzamide Traditional Name: 2,5-difluoro-N-isoamyl-N-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]benzamide Formula: C21H25F2N5O MolecularWeight: 401.452906

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=CN2C1=NC=N2)CN(CCC(C)C)C(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CCCC1=C(N=CN2C1=NC=N2)CN(CCC(C)C)C(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C21H25F2N5O/c1-4-5-16-19(25-13-28-20(16)24-12-26-28)11-27(9-8-14(2)3)21(29)17-10-15(22)6-7-18(17)23/h6-7,10,12-14H,4-5,8-9,11H2,1-3H3