1-[3-[1-[2-(4-chloranyl-3-methyl-phenoxy)ethyl]indol-3-yl]-2-cyano-prop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: 1-[3-[1-[2-(4-chloranyl-3-methyl-phenoxy)ethyl]indol-3-yl]-2-cyano-prop-2-enoyl]piperidine-4-carboxamide Openeye Name: 1-[3-[1-[2-(4-chloro-3-methyl-phenoxy)ethyl]indol-3-yl]-2-cyano-prop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[3-[1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-indolyl]-2-cyano-1-oxoprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[1-[2-(4-chloro-3-methylphenoxy)ethyl]indol-3-yl]-2-cyanoprop-2-enoyl]piperidine-4-carboxamide Traditional Name: 1-[3-[1-[2-(4-chloro-3-methyl-phenoxy)ethyl]indol-3-yl]-2-cyano-acryloyl]isonipecotamide Formula: C27H27ClN4O3 MolecularWeight: 490.98128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN4O3/c1-18-14-22(6-7-24(18)28)35-13-12-32-17-21(23-4-2-3-5-25(23)32)15-20(16-29)27(34)31-10-8-19(9-11-31)26(30)33/h2-7,14-15,17,19H,8-13H2,1H3,(H2,30,33)