(E)-2-cyano-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-N-naphthalen-1-yl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-N-naphthalen-1-yl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-N-(1-naphthyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-N-(1-naphthalenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]-N-naphthalen-1-ylprop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-N-(1-naphthyl)acrylamide Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C=C(C#N)C(=O)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)/C=C(\C#N)/C(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H22N4O3/c1-31-17-21(26(30-31)19-10-11-24-25(15-19)34-13-5-12-33-24)14-20(16-28)27(32)29-23-9-4-7-18-6-2-3-8-22(18)23/h2-4,6-11,14-15,17H,5,12-13H2,1H3,(H,29,32)/b20-14+