1-[(3R,4R)-3,4-bis(oxidanyl)pyrrolidin-1-yl]-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile

Systemtic Name: 1-[(3R,4R)-3,4-bis(oxidanyl)pyrrolidin-1-yl]-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile Openeye Name: 1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile CAS Name: 1-[(3R,4R)-3,4-dihydroxy-1-pyrrolidinyl]-6-methoxy-4-phenyl-3-isoquinolinecarbonitrile IUPAC Name: 1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-methoxy-4-phenylisoquinoline-3-carbonitrile Traditional Name: 1-[(3R,4R)-3,4-dihydroxypyrrolidino]-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC=CC=C3)C#N)N4CC(C(C4)O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC=CC=C3)C#N)N4C[C@H]([C@@H](C4)O)O

InChI

InChI=1S/C21H19N3O3/c1-27-14-7-8-15-16(9-14)20(13-5-3-2-4-6-13)17(10-22)23-21(15)24-11-18(25)19(26)12-24/h2-9,18-19,25-26H,11-12H2,1H3/t18-,19-/m1/s1