4-[5-(1-butylpiperidin-4-yl)-1,3-dioxan-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-(1-butylpiperidin-4-yl)-1,3-dioxan-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(1-butyl-4-piperidyl)-1,3-dioxan-2-yl]benzonitrile CAS Name: 4-[5-(1-butyl-4-piperidinyl)-1,3-dioxan-2-yl]benzonitrile IUPAC Name: 4-[5-(1-butylpiperidin-4-yl)-1,3-dioxan-2-yl]benzonitrile Traditional Name: 4-[5-(1-butyl-4-piperidyl)-1,3-dioxan-2-yl]benzonitrile Formula: C20H28N2O2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)C2COC(OC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCN1CCC(CC1)C2COC(OC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H28N2O2/c1-2-3-10-22-11-8-17(9-12-22)19-14-23-20(24-15-19)18-6-4-16(13-21)5-7-18/h4-7,17,19-20H,2-3,8-12,14-15H2,1H3