5-bromanyl-3-(4-chlorophenyl)-1-(2-methylpropoxymethyl)-2H-pyrrole-3-carbonitrile

Systemtic Name: 5-bromanyl-3-(4-chlorophenyl)-1-(2-methylpropoxymethyl)-2H-pyrrole-3-carbonitrile Openeye Name: 5-bromo-3-(4-chlorophenyl)-1-(isobutoxymethyl)-2H-pyrrole-3-carbonitrile CAS Name: 5-bromo-3-(4-chlorophenyl)-1-(2-methylpropoxymethyl)-2H-pyrrole-3-carbonitrile IUPAC Name: 5-bromo-3-(4-chlorophenyl)-1-(2-methylpropoxymethyl)-2H-pyrrole-3-carbonitrile Traditional Name: 5-bromo-3-(4-chlorophenyl)-1-(isobutoxymethyl)-2-pyrroline-3-carbonitrile Formula: C16H18BrClN2O MolecularWeight: 369.68392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCN1CC(C=C1Br)(C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)COCN1CC(C=C1Br)(C#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H18BrClN2O/c1-12(2)8-21-11-20-10-16(9-19,7-15(20)17)13-3-5-14(18)6-4-13/h3-7,12H,8,10-11H2,1-2H3