4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[4-[3-(1-piperidyl)propoxy]phenyl]piperidine-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-[4-[3-(1-piperidinyl)propoxy]phenyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[4-(3-piperidinopropoxy)phenyl]piperidine-1-carbonyl]benzonitrile Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)C3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)C3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H33N3O2/c28-21-22-5-7-25(8-6-22)27(31)30-18-13-24(14-19-30)23-9-11-26(12-10-23)32-20-4-17-29-15-2-1-3-16-29/h5-12,24H,1-4,13-20H2