2-[4-[3-(4-methanoylpiperazin-1-yl)propylamino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[3-(4-methanoylpiperazin-1-yl)propylamino]phenyl]ethanenitrile Openeye Name: 2-[4-[3-(4-formylpiperazin-1-yl)propylamino]phenyl]acetonitrile CAS Name: 2-[4-[3-(4-formyl-1-piperazinyl)propylamino]phenyl]acetonitrile IUPAC Name: 2-[4-[3-(4-formylpiperazin-1-yl)propylamino]phenyl]acetonitrile Traditional Name: 2-[4-[3-(4-formylpiperazino)propylamino]phenyl]acetonitrile Formula: C16H22N4O MolecularWeight: 286.37208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC2=CC=C(C=C2)CC#N)C=O

Isomeric SMILES

C1CN(CCN1CCCNC2=CC=C(C=C2)CC#N)C=O

InChI

InChI=1S/C16H22N4O/c17-7-6-15-2-4-16(5-3-15)18-8-1-9-19-10-12-20(14-21)13-11-19/h2-5,14,18H,1,6,8-13H2