(E)-N-(5-chloranyl-2-methoxy-phenyl)-2-cyano-3-[1-(phenylmethyl)indol-3-yl]prop-2-enamide

Systemtic Name: (E)-N-(5-chloranyl-2-methoxy-phenyl)-2-cyano-3-[1-(phenylmethyl)indol-3-yl]prop-2-enamide Openeye Name: (E)-3-(1-benzylindol-3-yl)-N-(5-chloro-2-methoxy-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-[1-(phenylmethyl)-3-indolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzylindol-3-yl)-N-(5-chloro-2-methoxyphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(1-benzylindol-3-yl)-N-(5-chloro-2-methoxy-phenyl)-2-cyano-acrylamide Formula: C26H20ClN3O2 MolecularWeight: 441.9089

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)/C#N

InChI

InChI=1S/C26H20ClN3O2/c1-32-25-12-11-21(27)14-23(25)29-26(31)19(15-28)13-20-17-30(16-18-7-3-2-4-8-18)24-10-6-5-9-22(20)24/h2-14,17H,16H2,1H3,(H,29,31)/b19-13+