N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[(1R)-2-(1,3-benzodioxol-5-ylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-4-fluoro-benzamide CAS Name: N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide IUPAC Name: N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide Traditional Name: N-[(1R)-2-(1,3-benzodioxol-5-ylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-4-fluoro-benzamide Formula: C25H20FN3O4 MolecularWeight: 445.442403

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H20FN3O4/c26-17-7-5-15(6-8-17)24(30)29-21(11-16-13-27-20-4-2-1-3-19(16)20)25(31)28-18-9-10-22-23(12-18)33-14-32-22/h1-10,12-13,21,27H,11,14H2,(H,28,31)(H,29,30)/t21-/m1/s1