(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[(1-phenyl-4-pyrazolyl)methyl]-2-propenamide IUPAC Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acrylamide Formula: C20H16ClN3O3 MolecularWeight: 381.81234

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C=CC(=O)NCC3=CN(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=C/C(=O)NCC3=CN(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H16ClN3O3/c21-17-8-14(9-18-20(17)27-13-26-18)6-7-19(25)22-10-15-11-23-24(12-15)16-4-2-1-3-5-16/h1-9,11-12H,10,13H2,(H,22,25)/b7-6+