N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxy-phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxy-phenyl]-4-fluoranyl-benzamide Openeye Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxy-phenyl]-4-fluoro-benzamide CAS Name: N-[4-[[3-(1-benzotriazolyl)-1-oxopropyl]amino]-2,5-diethoxyphenyl]-4-fluorobenzamide IUPAC Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxyphenyl]-4-fluorobenzamide Traditional Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxy-phenyl]-4-fluoro-benzamide Formula: C26H26FN5O4 MolecularWeight: 491.514143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)F)OCC)NC(=O)CCN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)F)OCC)NC(=O)CCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C26H26FN5O4/c1-3-35-23-16-21(29-26(34)17-9-11-18(27)12-10-17)24(36-4-2)15-20(23)28-25(33)13-14-32-22-8-6-5-7-19(22)30-31-32/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,28,33)(H,29,34)