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

Systemtic Name: (E)-2-cyano-N-cycloheptyl-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-cycloheptyl-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-cycloheptyl-3-[1-(2-phenoxyethyl)-3-indolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-cycloheptyl-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-cycloheptyl-3-[1-(2-phenoxyethyl)indol-3-yl]acrylamide Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CCOC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCCC(CC1)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CCOC4=CC=CC=C4)/C#N

InChI

InChI=1S/C27H29N3O2/c28-19-21(27(31)29-23-10-4-1-2-5-11-23)18-22-20-30(26-15-9-8-14-25(22)26)16-17-32-24-12-6-3-7-13-24/h3,6-9,12-15,18,20,23H,1-2,4-5,10-11,16-17H2,(H,29,31)/b21-18+