4-[4-[3-[3-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]propanoyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[3-[3-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]propanoyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[3-[3-(1,3-benzodioxol-5-ylmethyl)-1-piperidyl]propanoyl]piperazin-1-yl]benzonitrile CAS Name: 4-[4-[3-[3-(1,3-benzodioxol-5-ylmethyl)-1-piperidinyl]-1-oxopropyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-[3-[3-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]propanoyl]piperazin-1-yl]benzonitrile Traditional Name: 4-[4-[3-(3-piperonylpiperidino)propanoyl]piperazino]benzonitrile Formula: C27H32N4O3 MolecularWeight: 460.56798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)C#N)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)C#N)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H32N4O3/c28-18-21-3-6-24(7-4-21)30-12-14-31(15-13-30)27(32)9-11-29-10-1-2-23(19-29)16-22-5-8-25-26(17-22)34-20-33-25/h3-8,17,23H,1-2,9-16,19-20H2