4-bromanyl-1-methyl-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 4-bromanyl-1-methyl-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-4-bromo-1-methyl-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-4-bromo-1-methyl-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-4-bromo-1-methylisoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-4-bromo-1-methyl-isoquinoline-1-carbonitrile Formula: C18H13BrN2O MolecularWeight: 353.21262

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=CN1C(=O)C3=CC=CC=C3)Br)C#N

Isomeric SMILES

CC1(C2=CC=CC=C2C(=CN1C(=O)C3=CC=CC=C3)Br)C#N

InChI

InChI=1S/C18H13BrN2O/c1-18(12-20)15-10-6-5-9-14(15)16(19)11-21(18)17(22)13-7-3-2-4-8-13/h2-11H,1H3