5-bromanyl-1-(phenylmethyl)indole-3-carbonitrile

Systemtic Name: 5-bromanyl-1-(phenylmethyl)indole-3-carbonitrile Openeye Name: 1-benzyl-5-bromo-indole-3-carbonitrile CAS Name: 5-bromo-1-(phenylmethyl)-3-indolecarbonitrile IUPAC Name: 1-benzyl-5-bromoindole-3-carbonitrile Traditional Name: 1-benzyl-5-bromo-indole-3-carbonitrile Formula: C16H11BrN2 MolecularWeight: 311.17594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)Br)C#N

InChI

InChI=1S/C16H11BrN2/c17-14-6-7-16-15(8-14)13(9-18)11-19(16)10-12-4-2-1-3-5-12/h1-8,11H,10H2