2-[[1-butyl-4-(4-dimethylaminophenyl)piperidin-3-yl]methoxy]benzenecarbonitrile

Systemtic Name: 2-[[1-butyl-4-(4-dimethylaminophenyl)piperidin-3-yl]methoxy]benzenecarbonitrile Openeye Name: 2-[[1-butyl-4-(4-dimethylaminophenyl)-3-piperidyl]methoxy]benzonitrile CAS Name: 2-[[1-butyl-4-(4-dimethylaminophenyl)-3-piperidinyl]methoxy]benzonitrile IUPAC Name: 2-[[1-butyl-4-(4-dimethylaminophenyl)piperidin-3-yl]methoxy]benzonitrile Traditional Name: 2-[[1-butyl-4-(4-dimethylaminophenyl)-3-piperidyl]methoxy]benzonitrile Formula: C25H33N3O MolecularWeight: 391.54902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(C(C1)COC2=CC=CC=C2C#N)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCCN1CCC(C(C1)COC2=CC=CC=C2C#N)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C25H33N3O/c1-4-5-15-28-16-14-24(20-10-12-23(13-11-20)27(2)3)22(18-28)19-29-25-9-7-6-8-21(25)17-26/h6-13,22,24H,4-5,14-16,18-19H2,1-3H3