3-[(1-pentyl-4-thiophen-3-yl-piperidin-3-yl)methoxy]benzenecarbonitrile

Systemtic Name: 3-[(1-pentyl-4-thiophen-3-yl-piperidin-3-yl)methoxy]benzenecarbonitrile Openeye Name: 3-[[1-pentyl-4-(3-thienyl)-3-piperidyl]methoxy]benzonitrile CAS Name: 3-[[1-pentyl-4-(3-thiophenyl)-3-piperidinyl]methoxy]benzonitrile IUPAC Name: 3-[(1-pentyl-4-thiophen-3-ylpiperidin-3-yl)methoxy]benzonitrile Traditional Name: 3-[[1-amyl-4-(3-thienyl)-3-piperidyl]methoxy]benzonitrile Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(C(C1)COC2=CC=CC(=C2)C#N)C3=CSC=C3

Isomeric SMILES

CCCCCN1CCC(C(C1)COC2=CC=CC(=C2)C#N)C3=CSC=C3

InChI

InChI=1S/C22H28N2OS/c1-2-3-4-10-24-11-8-22(19-9-12-26-17-19)20(15-24)16-25-21-7-5-6-18(13-21)14-23/h5-7,9,12-13,17,20,22H,2-4,8,10-11,15-16H2,1H3