tert-butyl 4-[3-[5-chloranyl-2-(4-chlorophenyl)-1-methyl-indol-3-yl]propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[5-chloranyl-2-(4-chlorophenyl)-1-methyl-indol-3-yl]propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[5-chloro-2-(4-chlorophenyl)-1-methyl-indol-3-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[5-chloro-2-(4-chlorophenyl)-1-methyl-3-indolyl]-1-oxopropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[5-chloro-2-(4-chlorophenyl)-1-methyl-indol-3-yl]propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H31Cl2N3O3 MolecularWeight: 516.45934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCC2=C(N(C3=C2C=C(C=C3)Cl)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCC2=C(N(C3=C2C=C(C=C3)Cl)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H31Cl2N3O3/c1-27(2,3)35-26(34)32-15-13-31(14-16-32)24(33)12-10-21-22-17-20(29)9-11-23(22)30(4)25(21)18-5-7-19(28)8-6-18/h5-9,11,17H,10,12-16H2,1-4H3