3-[5-azanyl-3-(3-bromophenyl)pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 3-[5-azanyl-3-(3-bromophenyl)pyrazol-1-yl]benzenecarbonitrile Openeye Name: 3-[5-amino-3-(3-bromophenyl)pyrazol-1-yl]benzonitrile CAS Name: 3-[5-amino-3-(3-bromophenyl)-1-pyrazolyl]benzonitrile IUPAC Name: 3-[5-amino-3-(3-bromophenyl)pyrazol-1-yl]benzonitrile Traditional Name: 3-[5-amino-3-(3-bromophenyl)pyrazol-1-yl]benzonitrile Formula: C16H11BrN4 MolecularWeight: 339.18934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=CC(=N2)C3=CC(=CC=C3)Br)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=CC(=N2)C3=CC(=CC=C3)Br)N)C#N

InChI

InChI=1S/C16H11BrN4/c17-13-5-2-4-12(8-13)15-9-16(19)21(20-15)14-6-1-3-11(7-14)10-18/h1-9H,19H2