N-[3-(2-cyanoethyl)-1-(4-fluorophenyl)-5-methoxy-2-oxidanylidene-indol-3-yl]isoquinoline-3-carboxamide

Systemtic Name: N-[3-(2-cyanoethyl)-1-(4-fluorophenyl)-5-methoxy-2-oxidanylidene-indol-3-yl]isoquinoline-3-carboxamide Openeye Name: N-[3-(2-cyanoethyl)-1-(4-fluorophenyl)-5-methoxy-2-oxo-indolin-3-yl]isoquinoline-3-carboxamide CAS Name: N-[3-(2-cyanoethyl)-1-(4-fluorophenyl)-5-methoxy-2-oxo-3-indolyl]-3-isoquinolinecarboxamide IUPAC Name: N-[3-(2-cyanoethyl)-1-(4-fluorophenyl)-5-methoxy-2-oxoindol-3-yl]isoquinoline-3-carboxamide Traditional Name: N-[3-(2-cyanoethyl)-1-(4-fluorophenyl)-2-keto-5-methoxy-indolin-3-yl]isoquinoline-3-carboxamide Formula: C28H21FN4O3 MolecularWeight: 480.489743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=O)C2(CCC#N)NC(=O)C3=CC4=CC=CC=C4C=N3)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=O)C2(CCC#N)NC(=O)C3=CC4=CC=CC=C4C=N3)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H21FN4O3/c1-36-22-11-12-25-23(16-22)28(13-4-14-30,27(35)33(25)21-9-7-20(29)8-10-21)32-26(34)24-15-18-5-2-3-6-19(18)17-31-24/h2-3,5-12,15-17H,4,13H2,1H3,(H,32,34)