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

Systemtic Name: N-[3-(2-cyanoethyl)-1-(2-fluorophenyl)-6-methoxy-2-oxidanylidene-indol-3-yl]isoquinoline-3-carboxamide Openeye Name: N-[3-(2-cyanoethyl)-1-(2-fluorophenyl)-6-methoxy-2-oxo-indolin-3-yl]isoquinoline-3-carboxamide CAS Name: N-[3-(2-cyanoethyl)-1-(2-fluorophenyl)-6-methoxy-2-oxo-3-indolyl]-3-isoquinolinecarboxamide IUPAC Name: N-[3-(2-cyanoethyl)-1-(2-fluorophenyl)-6-methoxy-2-oxoindol-3-yl]isoquinoline-3-carboxamide Traditional Name: N-[3-(2-cyanoethyl)-1-(2-fluorophenyl)-2-keto-6-methoxy-indolin-3-yl]isoquinoline-3-carboxamide Formula: C28H21FN4O3 MolecularWeight: 480.489743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(=O)N2C3=CC=CC=C3F)(CCC#N)NC(=O)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

COC1=CC2=C(C=C1)C(C(=O)N2C3=CC=CC=C3F)(CCC#N)NC(=O)C4=CC5=CC=CC=C5C=N4

InChI

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