1-[2-cyano-3-[1-[2-(2,5-dimethylphenoxy)ethyl]indol-3-yl]prop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-cyano-3-[1-[2-(2,5-dimethylphenoxy)ethyl]indol-3-yl]prop-2-enoyl]piperidine-4-carboxamide Openeye Name: 1-[2-cyano-3-[1-[2-(2,5-dimethylphenoxy)ethyl]indol-3-yl]prop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[2-cyano-3-[1-[2-(2,5-dimethylphenoxy)ethyl]-3-indolyl]-1-oxoprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-cyano-3-[1-[2-(2,5-dimethylphenoxy)ethyl]indol-3-yl]prop-2-enoyl]piperidine-4-carboxamide Traditional Name: 1-[2-cyano-3-[1-[2-(2,5-dimethylphenoxy)ethyl]indol-3-yl]acryloyl]isonipecotamide Formula: C28H30N4O3 MolecularWeight: 470.5628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCN2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)N4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCN2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C28H30N4O3/c1-19-7-8-20(2)26(15-19)35-14-13-32-18-23(24-5-3-4-6-25(24)32)16-22(17-29)28(34)31-11-9-21(10-12-31)27(30)33/h3-8,15-16,18,21H,9-14H2,1-2H3,(H2,30,33)