ethyl 4-[3-(4-chlorophenyl)-5-ethyl-1-methyl-indol-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(4-chlorophenyl)-5-ethyl-1-methyl-indol-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-(4-chlorophenyl)-5-ethyl-1-methyl-indole-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(4-chlorophenyl)-5-ethyl-1-methyl-2-indolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-chlorophenyl)-5-ethyl-1-methylindole-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-chlorophenyl)-5-ethyl-1-methyl-indole-2-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H28ClN3O3 MolecularWeight: 453.96112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=C2C3=CC=C(C=C3)Cl)C(=O)N4CCN(CC4)C(=O)OCC)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=C2C3=CC=C(C=C3)Cl)C(=O)N4CCN(CC4)C(=O)OCC)C

InChI

InChI=1S/C25H28ClN3O3/c1-4-17-6-11-21-20(16-17)22(18-7-9-19(26)10-8-18)23(27(21)3)24(30)28-12-14-29(15-13-28)25(31)32-5-2/h6-11,16H,4-5,12-15H2,1-3H3