3-[3-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(5-phenyltetrazol-2-yl)acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(5-phenyltetrazol-2-yl)acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(5-phenyltetrazol-2-yl)acetyl]indol-1-yl]propionitrile Formula: C20H16N6O MolecularWeight: 356.38064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C20H16N6O/c21-11-6-12-25-13-17(16-9-4-5-10-18(16)25)19(27)14-26-23-20(22-24-26)15-7-2-1-3-8-15/h1-5,7-10,13H,6,12,14H2