4-bromanyl-N-[(Z)-1-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-4-morpholin-4-ium-4-yl-3-oxidanylidene-but-1-en-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-[(Z)-1-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-4-morpholin-4-ium-4-yl-3-oxidanylidene-but-1-en-2-yl]benzamide Openeye Name: 4-bromo-N-[(1Z)-1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-morpholin-4-ium-4-yl-2-oxo-propyl]benzamide CAS Name: 4-bromo-N-[(Z)-1-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-4-(4-morpholin-4-iumyl)-3-oxobut-1-en-2-yl]benzamide IUPAC Name: 4-bromo-N-[(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-morpholin-4-ium-4-yl-3-oxobut-1-en-2-yl]benzamide Traditional Name: 4-bromo-N-[(Z)-2-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-1-(2-morpholin-4-ium-4-ylacetyl)vinyl]benzamide Formula: C30H27BrFN4O3+ MolecularWeight: 590.462783

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1COCC[NH+]1CC(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)/NC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C30H26BrFN4O3/c31-24-10-6-22(7-11-24)30(38)33-27(28(37)20-35-14-16-39-17-15-35)18-23-19-36(26-4-2-1-3-5-26)34-29(23)21-8-12-25(32)13-9-21/h1-13,18-19H,14-17,20H2,(H,33,38)/p+1/b27-18-