N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-(4-bromanylpyrazol-1-yl)benzamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-(4-bromanylpyrazol-1-yl)benzamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-(4-bromopyrazol-1-yl)benzamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-4-(4-bromo-1-pyrazolyl)benzamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-4-(4-bromopyrazol-1-yl)benzamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-(4-bromopyrazol-1-yl)benzamide Formula: C23H20BrN7O MolecularWeight: 490.3552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=CC=C(C=C3)N4C=C(C=N4)Br)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=CC=C(C=C3)N4C=C(C=N4)Br)C#N)N

InChI

InChI=1S/C23H20BrN7O/c24-17-14-28-30(15-17)18-10-8-16(9-11-18)23(32)27-12-4-7-21-20(13-25)22(26)31(29-21)19-5-2-1-3-6-19/h1-3,5-6,8-11,14-15H,4,7,12,26H2,(H,27,32)