1-[1,3-bis(oxidanyl)propan-2-ylamino]-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile

Systemtic Name: 1-[1,3-bis(oxidanyl)propan-2-ylamino]-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile Openeye Name: 4-(3-fluorophenyl)-1-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-6-methoxy-isoquinoline-3-carbonitrile CAS Name: 1-(1,3-dihydroxypropan-2-ylamino)-4-(3-fluorophenyl)-6-methoxy-3-isoquinolinecarbonitrile IUPAC Name: 1-(1,3-dihydroxypropan-2-ylamino)-4-(3-fluorophenyl)-6-methoxyisoquinoline-3-carbonitrile Traditional Name: 4-(3-fluorophenyl)-1-[(2-hydroxy-1-methylol-ethyl)amino]-6-methoxy-isoquinoline-3-carbonitrile Formula: C20H18FN3O3 MolecularWeight: 367.373623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O3/c1-27-15-5-6-16-17(8-15)19(12-3-2-4-13(21)7-12)18(9-22)24-20(16)23-14(10-25)11-26/h2-8,14,25-26H,10-11H2,1H3,(H,23,24)