tert-butyl 1-[5-chloranyl-3-(2-chlorophenyl)-2-oxidanylidene-3H-indol-1-yl]piperazine-2-carboxylate

Systemtic Name: tert-butyl 1-[5-chloranyl-3-(2-chlorophenyl)-2-oxidanylidene-3H-indol-1-yl]piperazine-2-carboxylate Openeye Name: tert-butyl 1-[5-chloro-3-(2-chlorophenyl)-2-oxo-indolin-1-yl]piperazine-2-carboxylate CAS Name: 1-[5-chloro-3-(2-chlorophenyl)-2-oxo-3H-indol-1-yl]-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[5-chloro-3-(2-chlorophenyl)-2-oxo-3H-indol-1-yl]piperazine-2-carboxylate Traditional Name: 1-[5-chloro-3-(2-chlorophenyl)-2-keto-indolin-1-yl]piperazine-2-carboxylic acid tert-butyl ester Formula: C23H25Cl2N3O3 MolecularWeight: 462.3689

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CNCCN1N2C3=C(C=C(C=C3)Cl)C(C2=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1CNCCN1N2C3=C(C=C(C=C3)Cl)C(C2=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H25Cl2N3O3/c1-23(2,3)31-22(30)19-13-26-10-11-27(19)28-18-9-8-14(24)12-16(18)20(21(28)29)15-6-4-5-7-17(15)25/h4-9,12,19-20,26H,10-11,13H2,1-3H3