3-[3-(2-cyanopropyl)-5-(imidazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile

Systemtic Name: 3-[3-(2-cyanopropyl)-5-(imidazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile Openeye Name: 3-[3-(2-cyanopropyl)-5-(imidazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile CAS Name: 3-[3-(2-cyanopropyl)-5-(1-imidazolylmethyl)phenyl]-2-methylpropanenitrile IUPAC Name: 3-[3-(2-cyanopropyl)-5-(imidazol-1-ylmethyl)phenyl]-2-methylpropanenitrile Traditional Name: 3-[3-(2-cyanopropyl)-5-(imidazol-1-ylmethyl)phenyl]-2-methyl-propionitrile Formula: C18H20N4 MolecularWeight: 292.3782

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC(=C1)CN2C=CN=C2)CC(C)C#N)C#N

Isomeric SMILES

CC(CC1=CC(=CC(=C1)CN2C=CN=C2)CC(C)C#N)C#N

InChI

InChI=1S/C18H20N4/c1-14(10-19)5-16-7-17(6-15(2)11-20)9-18(8-16)12-22-4-3-21-13-22/h3-4,7-9,13-15H,5-6,12H2,1-2H3