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

Systemtic Name: 3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[4-[3-(1-piperidyl)propoxy]benzoyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[oxo-[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[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=CC(=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O3/c28-21-22-6-4-7-24(20-22)27(33)31-17-15-30(16-18-31)26(32)23-8-10-25(11-9-23)34-19-5-14-29-12-2-1-3-13-29/h4,6-11,20H,1-3,5,12-19H2