6-methoxy-1-[(3R)-3-oxidanylpyrrolidin-1-yl]-4-phenyl-isoquinoline-3-carbonitrile

Systemtic Name: 6-methoxy-1-[(3R)-3-oxidanylpyrrolidin-1-yl]-4-phenyl-isoquinoline-3-carbonitrile Openeye Name: 1-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile CAS Name: 1-[(3R)-3-hydroxy-1-pyrrolidinyl]-6-methoxy-4-phenyl-3-isoquinolinecarbonitrile IUPAC Name: 1-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methoxy-4-phenylisoquinoline-3-carbonitrile Traditional Name: 1-[(3R)-3-hydroxypyrrolidino]-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC=CC=C3)C#N)N4CCC(C4)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2/c1-26-16-7-8-17-18(11-16)20(14-5-3-2-4-6-14)19(12-22)23-21(17)24-10-9-15(25)13-24/h2-8,11,15,25H,9-10,13H2,1H3/t15-/m1/s1