N-[1-[3-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-en-2-yl]benzamide

Systemtic Name: N-[1-[3-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: N-[2-[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-1-(2-furylmethylcarbamoyl)vinyl]benzamide CAS Name: N-[1-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-3-(2-furanylmethylamino)-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: N-[1-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: N-[2-[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-1-(2-furfurylcarbamoyl)vinyl]benzamide Formula: C31H25BrN4O4 MolecularWeight: 597.4586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C(=O)NCC3=CC=CO3)NC(=O)C4=CC=CC=C4)C5=CC=CC=C5)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C(=O)NCC3=CC=CO3)NC(=O)C4=CC=CC=C4)C5=CC=CC=C5)Br

InChI

InChI=1S/C31H25BrN4O4/c1-39-28-15-14-22(17-26(28)32)29-23(20-36(35-29)24-11-6-3-7-12-24)18-27(31(38)33-19-25-13-8-16-40-25)34-30(37)21-9-4-2-5-10-21/h2-18,20H,19H2,1H3,(H,33,38)(H,34,37)