tert-butyl 4-[3-cyano-2-(4-ethoxyphenyl)-1-ethyl-indol-6-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-cyano-2-(4-ethoxyphenyl)-1-ethyl-indol-6-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-cyano-2-(4-ethoxyphenyl)-1-ethyl-indol-6-yl]piperazine-1-carboxylate CAS Name: 4-[3-cyano-2-(4-ethoxyphenyl)-1-ethyl-6-indolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]piperazine-1-carboxylate Traditional Name: 4-(3-cyano-1-ethyl-2-p-phenetyl-indol-6-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C28H34N4O3 MolecularWeight: 474.59456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C(=C1C4=CC=C(C=C4)OCC)C#N

Isomeric SMILES

CCN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C(=C1C4=CC=C(C=C4)OCC)C#N

InChI

InChI=1S/C28H34N4O3/c1-6-32-25-18-21(30-14-16-31(17-15-30)27(33)35-28(3,4)5)10-13-23(25)24(19-29)26(32)20-8-11-22(12-9-20)34-7-2/h8-13,18H,6-7,14-17H2,1-5H3