4-(2-bromophenyl)-6-propan-2-yl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile; ethanenitrile

Systemtic Name: 4-(2-bromophenyl)-6-propan-2-yl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile; ethanenitrile Openeye Name: acetonitrile; 4-(2-bromophenyl)-6-isopropyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile CAS Name: acetonitrile; 4-(2-bromophenyl)-6-propan-2-yl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile IUPAC Name: acetonitrile; 4-(2-bromophenyl)-6-propan-2-yl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile Traditional Name: acetonitrile; 4-(2-bromophenyl)-6-isopropyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile Formula: C18H18BrN5 MolecularWeight: 384.27302

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC(C)C1=C(C(C2=CNNC2=N1)C3=CC=CC=C3Br)C#N

Isomeric SMILES

CC#N.CC(C)C1=C(C(C2=CNNC2=N1)C3=CC=CC=C3Br)C#N

InChI

InChI=1S/C16H15BrN4.C2H3N/c1-9(2)15-11(7-18)14(10-5-3-4-6-13(10)17)12-8-19-21-16(12)20-15;1-2-3/h3-6,8-9,14H,1-2H3,(H2,19,20,21);1H3