5-[1-(3-oxidanylpropyl)piperidin-4-yl]oxyisoquinoline-4-carbonitrile

Systemtic Name: 5-[1-(3-oxidanylpropyl)piperidin-4-yl]oxyisoquinoline-4-carbonitrile Openeye Name: 5-[[1-(3-hydroxypropyl)-4-piperidyl]oxy]isoquinoline-4-carbonitrile CAS Name: 5-[[1-(3-hydroxypropyl)-4-piperidinyl]oxy]-4-isoquinolinecarbonitrile IUPAC Name: 5-[1-(3-hydroxypropyl)piperidin-4-yl]oxyisoquinoline-4-carbonitrile Traditional Name: 5-[[1-(3-hydroxypropyl)-4-piperidyl]oxy]isoquinoline-4-carbonitrile Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC3=C2C(=CN=C3)C#N)CCCO

Isomeric SMILES

C1CN(CCC1OC2=CC=CC3=C2C(=CN=C3)C#N)CCCO

InChI

InChI=1S/C18H21N3O2/c19-11-15-13-20-12-14-3-1-4-17(18(14)15)23-16-5-8-21(9-6-16)7-2-10-22/h1,3-4,12-13,16,22H,2,5-10H2