N'-azanyl-4-fluoranyl-3-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]-1H-indole-7-carboximidamide

Systemtic Name: N'-azanyl-4-fluoranyl-3-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]-1H-indole-7-carboximidamide Openeye Name: N'-amino-3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-indole-7-carboxamidine CAS Name: N'-amino-3-[2-(4-benzoyl-1-piperazinyl)-1,2-dioxoethyl]-4-fluoro-1H-indole-7-carboximidamide IUPAC Name: N'-amino-3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indole-7-carboximidamide Traditional Name: N'-amino-3-[2-(4-benzoylpiperazino)-2-keto-acetyl]-4-fluoro-1H-indole-7-carboxamidine Formula: C22H21FN6O3 MolecularWeight: 436.438943

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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(=NN)N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)/C(=N\N)/N

InChI

InChI=1S/C22H21FN6O3/c23-16-7-6-14(20(24)27-25)18-17(16)15(12-26-18)19(30)22(32)29-10-8-28(9-11-29)21(31)13-4-2-1-3-5-13/h1-7,12,26H,8-11,25H2,(H2,24,27)