(E)-3-(5-bromanyl-2-phenylmethoxy-phenyl)-2-cyano-N-cycloheptyl-prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-phenylmethoxy-phenyl)-2-cyano-N-cycloheptyl-prop-2-enamide Openeye Name: (E)-3-(2-benzyloxy-5-bromo-phenyl)-2-cyano-N-cycloheptyl-prop-2-enamide CAS Name: (E)-3-(5-bromo-2-phenylmethoxyphenyl)-2-cyano-N-cycloheptyl-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-phenylmethoxyphenyl)-2-cyano-N-cycloheptylprop-2-enamide Traditional Name: (E)-3-(2-benzoxy-5-bromo-phenyl)-2-cyano-N-cycloheptyl-acrylamide Formula: C24H25BrN2O2 MolecularWeight: 453.3715

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C(=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCCC(CC1)NC(=O)/C(=C/C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)/C#N

InChI

InChI=1S/C24H25BrN2O2/c25-21-12-13-23(29-17-18-8-4-3-5-9-18)19(15-21)14-20(16-26)24(28)27-22-10-6-1-2-7-11-22/h3-5,8-9,12-15,22H,1-2,6-7,10-11,17H2,(H,27,28)/b20-14+