3-bromanyl-N-[4-[2-oxidanylidene-2-[(1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]benzamide

Systemtic Name: 3-bromanyl-N-[4-[2-oxidanylidene-2-[(1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]benzamide Openeye Name: 3-bromo-N-[4-[2-oxo-2-[(1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]benzamide CAS Name: 3-bromo-N-[4-[2-oxo-2-[(1-phenyl-4-pyrazolyl)methylamino]ethyl]phenyl]benzamide IUPAC Name: 3-bromo-N-[4-[2-oxo-2-[(1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]benzamide Traditional Name: 3-bromo-N-[4-[2-keto-2-[(1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]benzamide Formula: C25H21BrN4O2 MolecularWeight: 489.36384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)CC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)CC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H21BrN4O2/c26-21-6-4-5-20(14-21)25(32)29-22-11-9-18(10-12-22)13-24(31)27-15-19-16-28-30(17-19)23-7-2-1-3-8-23/h1-12,14,16-17H,13,15H2,(H,27,31)(H,29,32)