1-[4,5-bis(oxidanyl)pentyl]-4-(3-fluorophenyl)-6-methoxy-2-oxidanylidene-quinoline-3-carbonitrile

Systemtic Name: 1-[4,5-bis(oxidanyl)pentyl]-4-(3-fluorophenyl)-6-methoxy-2-oxidanylidene-quinoline-3-carbonitrile Openeye Name: 1-(4,5-dihydroxypentyl)-4-(3-fluorophenyl)-6-methoxy-2-oxo-quinoline-3-carbonitrile CAS Name: 1-(4,5-dihydroxypentyl)-4-(3-fluorophenyl)-6-methoxy-2-oxo-3-quinolinecarbonitrile IUPAC Name: 1-(4,5-dihydroxypentyl)-4-(3-fluorophenyl)-6-methoxy-2-oxoquinoline-3-carbonitrile Traditional Name: 1-(4,5-dihydroxypentyl)-4-(3-fluorophenyl)-2-keto-6-methoxy-quinoline-3-carbonitrile Formula: C22H21FN2O4 MolecularWeight: 396.411543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=O)C(=C2C3=CC(=CC=C3)F)C#N)CCCC(CO)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=O)C(=C2C3=CC(=CC=C3)F)C#N)CCCC(CO)O

InChI

InChI=1S/C22H21FN2O4/c1-29-17-7-8-20-18(11-17)21(14-4-2-5-15(23)10-14)19(12-24)22(28)25(20)9-3-6-16(27)13-26/h2,4-5,7-8,10-11,16,26-27H,3,6,9,13H2,1H3