4-(2-bromanylethanoylamino)-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)benzamide

Systemtic Name: 4-(2-bromanylethanoylamino)-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)benzamide Openeye Name: 4-[(2-bromoacetyl)amino]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)benzamide CAS Name: 4-[(2-bromo-1-oxoethyl)amino]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)benzamide IUPAC Name: 4-[(2-bromoacetyl)amino]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)benzamide Traditional Name: 4-[(2-bromoacetyl)amino]-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)benzamide Formula: C18H15BrN4O3 MolecularWeight: 415.2407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C=C(N2)NC(=O)C3=CC=C(C=C3)NC(=O)CBr

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C=C(N2)NC(=O)C3=CC=C(C=C3)NC(=O)CBr

InChI

InChI=1S/C18H15BrN4O3/c19-11-16(24)20-13-8-6-12(7-9-13)18(26)21-15-10-17(25)23(22-15)14-4-2-1-3-5-14/h1-10,22H,11H2,(H,20,24)(H,21,26)