3-[1-(3,5-dimethylphenyl)carbonyl-2-methyl-indolizin-3-yl]propanenitrile

Systemtic Name: 3-[1-(3,5-dimethylphenyl)carbonyl-2-methyl-indolizin-3-yl]propanenitrile Openeye Name: 3-[1-(3,5-dimethylbenzoyl)-2-methyl-indolizin-3-yl]propanenitrile CAS Name: 3-[1-[(3,5-dimethylphenyl)-oxomethyl]-2-methyl-3-indolizinyl]propanenitrile IUPAC Name: 3-[1-(3,5-dimethylbenzoyl)-2-methylindolizin-3-yl]propanenitrile Traditional Name: 3-[1-(3,5-dimethylbenzoyl)-2-methyl-indolizin-3-yl]propionitrile Formula: C21H20N2O MolecularWeight: 316.3963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C3C=CC=CN3C(=C2C)CCC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C3C=CC=CN3C(=C2C)CCC#N)C

InChI

InChI=1S/C21H20N2O/c1-14-11-15(2)13-17(12-14)21(24)20-16(3)18(8-6-9-22)23-10-5-4-7-19(20)23/h4-5,7,10-13H,6,8H2,1-3H3