3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)prop-2-enamide

Systemtic Name: 3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)prop-2-enamide Openeye Name: 3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)prop-2-enamide CAS Name: 3-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-propenamide IUPAC Name: 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)prop-2-enamide Traditional Name: 3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acrylamide Formula: C28H23ClN4OS MolecularWeight: 499.02642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C=CC3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C=CC3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H23ClN4OS/c29-21-14-11-19(12-15-21)27-20(18-33(32-27)22-7-3-1-4-8-22)13-16-26(34)31-28-24(17-30)23-9-5-2-6-10-25(23)35-28/h1,3-4,7-8,11-16,18H,2,5-6,9-10H2,(H,31,34)