N-[3-(2-cyanoethyl)-1-(4-fluorophenyl)-6-methoxy-2-oxidanylidene-indol-3-yl]isoquinoline-3-carboxamide

Systemtic Name: N-[3-(2-cyanoethyl)-1-(4-fluorophenyl)-6-methoxy-2-oxidanylidene-indol-3-yl]isoquinoline-3-carboxamide Openeye Name: N-[3-(2-cyanoethyl)-1-(4-fluorophenyl)-6-methoxy-2-oxo-indolin-3-yl]isoquinoline-3-carboxamide CAS Name: N-[3-(2-cyanoethyl)-1-(4-fluorophenyl)-6-methoxy-2-oxo-3-indolyl]-3-isoquinolinecarboxamide IUPAC Name: N-[3-(2-cyanoethyl)-1-(4-fluorophenyl)-6-methoxy-2-oxoindol-3-yl]isoquinoline-3-carboxamide Traditional Name: N-[3-(2-cyanoethyl)-1-(4-fluorophenyl)-2-keto-6-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)C(C(=O)N2C3=CC=C(C=C3)F)(CCC#N)NC(=O)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

COC1=CC2=C(C=C1)C(C(=O)N2C3=CC=C(C=C3)F)(CCC#N)NC(=O)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C28H21FN4O3/c1-36-22-11-12-23-25(16-22)33(21-9-7-20(29)8-10-21)27(35)28(23,13-4-14-30)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)