3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenyl-pyrazol-4-yl]-2-cyano-N-prop-2-enyl-prop-2-enamide

Systemtic Name: 3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenyl-pyrazol-4-yl]-2-cyano-N-prop-2-enyl-prop-2-enamide Openeye Name: N-allyl-3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: 3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenyl-4-pyrazolyl]-2-cyano-N-prop-2-enyl-2-propenamide IUPAC Name: 3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-cyano-N-prop-2-enylprop-2-enamide Traditional Name: N-allyl-3-[3-[4-(4-chlorobenzyl)oxyphenyl]-1-phenyl-pyrazol-4-yl]-2-cyano-acrylamide Formula: C29H23ClN4O2 MolecularWeight: 494.97152

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C#N

Isomeric SMILES

C=CCNC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C#N

InChI

InChI=1S/C29H23ClN4O2/c1-2-16-32-29(35)23(18-31)17-24-19-34(26-6-4-3-5-7-26)33-28(24)22-10-14-27(15-11-22)36-20-21-8-12-25(30)13-9-21/h2-15,17,19H,1,16,20H2,(H,32,35)