6-methoxy-1-(4-oxidanylpiperidin-1-yl)-4-phenyl-isoquinoline-3-carbonitrile

Systemtic Name: 6-methoxy-1-(4-oxidanylpiperidin-1-yl)-4-phenyl-isoquinoline-3-carbonitrile Openeye Name: 1-(4-hydroxy-1-piperidyl)-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile CAS Name: 1-(4-hydroxy-1-piperidinyl)-6-methoxy-4-phenyl-3-isoquinolinecarbonitrile IUPAC Name: 1-(4-hydroxypiperidin-1-yl)-6-methoxy-4-phenylisoquinoline-3-carbonitrile Traditional Name: 1-(4-hydroxypiperidino)-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC=CC=C3)C#N)N4CCC(CC4)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC=CC=C3)C#N)N4CCC(CC4)O

InChI

InChI=1S/C22H21N3O2/c1-27-17-7-8-18-19(13-17)21(15-5-3-2-4-6-15)20(14-23)24-22(18)25-11-9-16(26)10-12-25/h2-8,13,16,26H,9-12H2,1H3