4-fluoranyl-N-isoquinolin-1-yl-3-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]-1H-indole-7-carboxamide

Systemtic Name: 4-fluoranyl-N-isoquinolin-1-yl-3-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]-1H-indole-7-carboxamide Openeye Name: 3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(1-isoquinolyl)-1H-indole-7-carboxamide CAS Name: 3-[2-(4-benzoyl-1-piperazinyl)-1,2-dioxoethyl]-4-fluoro-N-(1-isoquinolinyl)-1H-indole-7-carboxamide IUPAC Name: 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-isoquinolin-1-yl-1H-indole-7-carboxamide Traditional Name: 3-[2-(4-benzoylpiperazino)-2-keto-acetyl]-4-fluoro-N-(1-isoquinolyl)-1H-indole-7-carboxamide Formula: C31H24FN5O4 MolecularWeight: 549.551763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C(=O)NC5=NC=CC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C(=O)NC5=NC=CC6=CC=CC=C65

InChI

InChI=1S/C31H24FN5O4/c32-24-11-10-22(29(39)35-28-21-9-5-4-6-19(21)12-13-33-28)26-25(24)23(18-34-26)27(38)31(41)37-16-14-36(15-17-37)30(40)20-7-2-1-3-8-20/h1-13,18,34H,14-17H2,(H,33,35,39)