7-[(4-fluorophenyl)methyl]-5-methoxy-9-oxidanyl-6-(3-oxidanylidene-3-piperazin-1-yl-propyl)sulfanyl-6H-pyrrolo[3,4-g]quinolin-8-one

Systemtic Name: 7-[(4-fluorophenyl)methyl]-5-methoxy-9-oxidanyl-6-(3-oxidanylidene-3-piperazin-1-yl-propyl)sulfanyl-6H-pyrrolo[3,4-g]quinolin-8-one Openeye Name: 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-(3-oxo-3-piperazin-1-yl-propyl)sulfanyl-6H-pyrrolo[3,4-g]quinolin-8-one CAS Name: 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-[[3-oxo-3-(1-piperazinyl)propyl]thio]-6H-pyrrolo[3,4-g]quinolin-8-one IUPAC Name: 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-(3-oxo-3-piperazin-1-ylpropyl)sulfanyl-6H-pyrrolo[3,4-g]quinolin-8-one Traditional Name: 7-(4-fluorobenzyl)-9-hydroxy-6-[(3-keto-3-piperazino-propyl)thio]-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one Formula: C26H27FN4O4S MolecularWeight: 510.580383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(N(C(=O)C2=C(C3=C1C=CC=N3)O)CC4=CC=C(C=C4)F)SCCC(=O)N5CCNCC5

Isomeric SMILES

COC1=C2C(N(C(=O)C2=C(C3=C1C=CC=N3)O)CC4=CC=C(C=C4)F)SCCC(=O)N5CCNCC5

InChI

InChI=1S/C26H27FN4O4S/c1-35-24-18-3-2-9-29-22(18)23(33)20-21(24)26(36-14-8-19(32)30-12-10-28-11-13-30)31(25(20)34)15-16-4-6-17(27)7-5-16/h2-7,9,26,28,33H,8,10-15H2,1H3