2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-quinolin-5-yl-prop-2-enamide

Systemtic Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-quinolin-5-yl-prop-2-enamide Openeye Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-(5-quinolyl)prop-2-enamide CAS Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-N-(5-quinolinyl)-2-propenamide IUPAC Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-N-quinolin-5-ylprop-2-enamide Traditional Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-(5-quinolyl)acrylamide Formula: C30H21N5O3 MolecularWeight: 499.51944

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C(C#N)C(=O)NC4=CC=CC5=C4C=CC=N5)C6=CC=CC=C6

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C(C#N)C(=O)NC4=CC=CC5=C4C=CC=N5)C6=CC=CC=C6

InChI

InChI=1S/C30H21N5O3/c31-18-21(30(36)33-26-10-4-9-25-24(26)8-5-13-32-25)16-22-19-35(23-6-2-1-3-7-23)34-29(22)20-11-12-27-28(17-20)38-15-14-37-27/h1-13,16-17,19H,14-15H2,(H,33,36)