1-[(3S)-3,4-bis(oxidanyl)butoxy]-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile

Systemtic Name: 1-[(3S)-3,4-bis(oxidanyl)butoxy]-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile Openeye Name: 1-[(3S)-3,4-dihydroxybutoxy]-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile CAS Name: 1-[(3S)-3,4-dihydroxybutoxy]-4-(3-fluorophenyl)-6-methoxy-3-isoquinolinecarbonitrile IUPAC Name: 1-[(3S)-3,4-dihydroxybutoxy]-4-(3-fluorophenyl)-6-methoxyisoquinoline-3-carbonitrile Traditional Name: 1-[(3S)-3,4-dihydroxybutoxy]-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile Formula: C21H19FN2O4 MolecularWeight: 382.384963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC(=CC=C3)F)C#N)OCC[C@@H](CO)O

InChI

InChI=1S/C21H19FN2O4/c1-27-16-5-6-17-18(10-16)20(13-3-2-4-14(22)9-13)19(11-23)24-21(17)28-8-7-15(26)12-25/h2-6,9-10,15,25-26H,7-8,12H2,1H3/t15-/m0/s1