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

Systemtic Name: 4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[4-[3-(1-piperidyl)propoxy]benzoyl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-[oxo-[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[4-(3-piperidinopropoxy)benzoyl]piperazine-1-carbonyl]benzonitrile Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H32N4O3/c28-21-22-5-7-23(8-6-22)26(32)30-16-18-31(19-17-30)27(33)24-9-11-25(12-10-24)34-20-4-15-29-13-2-1-3-14-29/h5-12H,1-4,13-20H2