2-[2-methyl-3-(phenylcarbonyl)azulen-1-yl]ethanenitrile

Systemtic Name: 2-[2-methyl-3-(phenylcarbonyl)azulen-1-yl]ethanenitrile Openeye Name: 2-(3-benzoyl-2-methyl-azulen-1-yl)acetonitrile CAS Name: 2-(3-benzoyl-2-methyl-1-azulenyl)acetonitrile IUPAC Name: 2-(3-benzoyl-2-methylazulen-1-yl)acetonitrile Traditional Name: 2-(3-benzoyl-2-methyl-azulen-1-yl)acetonitrile Formula: C20H15NO MolecularWeight: 285.3392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=CC2=C1CC#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=CC=CC=CC2=C1CC#N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H15NO/c1-14-16(12-13-21)17-10-6-3-7-11-18(17)19(14)20(22)15-8-4-2-5-9-15/h2-11H,12H2,1H3