4-bromanyl-N-[2-phenyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrazol-3-yl]benzamide

Systemtic Name: 4-bromanyl-N-[2-phenyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrazol-3-yl]benzamide Openeye Name: N-[4-(4-benzylpiperazine-1-carbonyl)-2-phenyl-pyrazol-3-yl]-4-bromo-benzamide CAS Name: 4-bromo-N-[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-phenyl-3-pyrazolyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazine-1-carbonyl)-2-phenylpyrazol-3-yl]-4-bromobenzamide Traditional Name: N-[4-(4-benzylpiperazine-1-carbonyl)-2-phenyl-pyrazol-3-yl]-4-bromo-benzamide Formula: C28H26BrN5O2 MolecularWeight: 544.44234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C28H26BrN5O2/c29-23-13-11-22(12-14-23)27(35)31-26-25(19-30-34(26)24-9-5-2-6-10-24)28(36)33-17-15-32(16-18-33)20-21-7-3-1-4-8-21/h1-14,19H,15-18,20H2,(H,31,35)