(E)-N-(5-bromanyl-2-morpholin-4-yl-phenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-(5-bromanyl-2-morpholin-4-yl-phenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(5-bromo-2-morpholino-phenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[5-bromo-2-(4-morpholinyl)phenyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(5-bromo-2-morpholin-4-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(5-bromo-2-morpholino-phenyl)-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)Br)NC(=O)C=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)Br)NC(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21BrN4O2/c23-18-7-8-21(26-10-12-29-13-11-26)20(14-18)25-22(28)9-6-17-15-24-27(16-17)19-4-2-1-3-5-19/h1-9,14-16H,10-13H2,(H,25,28)/b9-6+