4-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]benzenecarbonitrile Openeye Name: 4-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]benzonitrile CAS Name: 4-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]-1-piperazinyl]ethyl]benzonitrile IUPAC Name: 4-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]benzonitrile Traditional Name: 4-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazino]ethyl]benzonitrile Formula: C26H29N7 MolecularWeight: 439.55536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4)CCC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN1CCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4)CCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H29N7/c27-17-22-5-3-21(4-6-22)9-11-32-14-12-31(13-15-32)10-1-2-23-18-28-26-8-7-24(16-25(23)26)33-19-29-30-20-33/h3-8,16,18-20,28H,1-2,9-15H2