2-[(2R)-2,3-bis(oxidanyl)propyl]-6-methoxy-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonitrile

Systemtic Name: 2-[(2R)-2,3-bis(oxidanyl)propyl]-6-methoxy-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonitrile Openeye Name: 2-[(2R)-2,3-dihydroxypropyl]-6-methoxy-1-oxo-4-phenyl-isoquinoline-3-carbonitrile CAS Name: 2-[(2R)-2,3-dihydroxypropyl]-6-methoxy-1-oxo-4-phenyl-3-isoquinolinecarbonitrile IUPAC Name: 2-[(2R)-2,3-dihydroxypropyl]-6-methoxy-1-oxo-4-phenylisoquinoline-3-carbonitrile Traditional Name: 2-[(2R)-2,3-dihydroxypropyl]-1-keto-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4/c1-26-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)22(20(16)25)11-14(24)12-23/h2-9,14,23-24H,11-12H2,1H3/t14-/m1/s1