4-[3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[2-furylmethyl(3-pyridylmethyl)amino]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[2-furanylmethyl(3-pyridinylmethyl)amino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[2-furfuryl(3-pyridylmethyl)amino]-2-hydroxy-propoxy]benzonitrile Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CC2=CC=CO2)CC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1=CC(=CN=C1)CN(CC2=CC=CO2)CC(COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C21H21N3O3/c22-11-17-5-7-20(8-6-17)27-16-19(25)14-24(15-21-4-2-10-26-21)13-18-3-1-9-23-12-18/h1-10,12,19,25H,13-16H2