(E)-3-[1-[(4-bromophenyl)methyl]indol-3-yl]-2-cyano-N-cycloheptyl-prop-2-enamide

Systemtic Name: (E)-3-[1-[(4-bromophenyl)methyl]indol-3-yl]-2-cyano-N-cycloheptyl-prop-2-enamide Openeye Name: (E)-3-[1-[(4-bromophenyl)methyl]indol-3-yl]-2-cyano-N-cycloheptyl-prop-2-enamide CAS Name: (E)-3-[1-[(4-bromophenyl)methyl]-3-indolyl]-2-cyano-N-cycloheptyl-2-propenamide IUPAC Name: (E)-3-[1-[(4-bromophenyl)methyl]indol-3-yl]-2-cyano-N-cycloheptylprop-2-enamide Traditional Name: (E)-3-[1-(4-bromobenzyl)indol-3-yl]-2-cyano-N-cycloheptyl-acrylamide Formula: C26H26BrN3O MolecularWeight: 476.40814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1CCCC(CC1)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Br)/C#N

InChI

InChI=1S/C26H26BrN3O/c27-22-13-11-19(12-14-22)17-30-18-21(24-9-5-6-10-25(24)30)15-20(16-28)26(31)29-23-7-3-1-2-4-8-23/h5-6,9-15,18,23H,1-4,7-8,17H2,(H,29,31)/b20-15+