(Z)-3-[3-(4-butoxy-3-chloranyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (Z)-3-[3-(4-butoxy-3-chloranyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: (Z)-N-benzyl-3-[3-(4-butoxy-3-chloro-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: (Z)-3-[3-(4-butoxy-3-chlorophenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: (Z)-N-benzyl-3-[3-(4-butoxy-3-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enamide Traditional Name: (Z)-N-benzyl-3-[3-(4-butoxy-3-chloro-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-acrylamide Formula: C30H27ClN4O2 MolecularWeight: 511.01398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C30H27ClN4O2/c1-2-3-16-37-28-15-14-23(18-27(28)31)29-25(21-35(34-29)26-12-8-5-9-13-26)17-24(19-32)30(36)33-20-22-10-6-4-7-11-22/h4-15,17-18,21H,2-3,16,20H2,1H3,(H,33,36)/b24-17-