3-[3-(imidazol-1-ylmethyl)-5-methoxy-indol-1-yl]propanenitrile

Systemtic Name: 3-[3-(imidazol-1-ylmethyl)-5-methoxy-indol-1-yl]propanenitrile Openeye Name: 3-[3-(imidazol-1-ylmethyl)-5-methoxy-indol-1-yl]propanenitrile CAS Name: 3-[3-(1-imidazolylmethyl)-5-methoxy-1-indolyl]propanenitrile IUPAC Name: 3-[3-(imidazol-1-ylmethyl)-5-methoxyindol-1-yl]propanenitrile Traditional Name: 3-[3-(imidazol-1-ylmethyl)-5-methoxy-indol-1-yl]propionitrile Formula: C16H16N4O MolecularWeight: 280.32444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CN3C=CN=C3)CCC#N

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CN3C=CN=C3)CCC#N

InChI

InChI=1S/C16H16N4O/c1-21-14-3-4-16-15(9-14)13(10-19-8-6-18-12-19)11-20(16)7-2-5-17/h3-4,6,8-9,11-12H,2,7,10H2,1H3