2-[2-(benzotriazol-1-yl)ethanoyl-(4-fluorophenyl)amino]-N-(oxolan-2-ylmethyl)pentanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(4-fluorophenyl)amino]-N-(oxolan-2-ylmethyl)pentanamide Openeye Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoro-anilino)-N-(tetrahydrofuran-2-ylmethyl)pentanamide CAS Name: 2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-4-fluoroanilino)-N-(2-oxolanylmethyl)pentanamide IUPAC Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-(oxolan-2-ylmethyl)pentanamide Traditional Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoro-anilino)-N-(tetrahydrofurfuryl)valeramide Formula: C24H28FN5O3 MolecularWeight: 453.509223

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCC1CCCO1)N(C2=CC=C(C=C2)F)C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCCC(C(=O)NCC1CCCO1)N(C2=CC=C(C=C2)F)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C24H28FN5O3/c1-2-6-22(24(32)26-15-19-7-5-14-33-19)30(18-12-10-17(25)11-13-18)23(31)16-29-21-9-4-3-8-20(21)27-28-29/h3-4,8-13,19,22H,2,5-7,14-16H2,1H3,(H,26,32)