tert-butyl 4-[6-chloranyl-3-[(3-chlorophenyl)methyl]-2-oxidanylidene-1H-indol-3-yl]azepane-1-carboxylate

Systemtic Name: tert-butyl 4-[6-chloranyl-3-[(3-chlorophenyl)methyl]-2-oxidanylidene-1H-indol-3-yl]azepane-1-carboxylate Openeye Name: tert-butyl 4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-indolin-3-yl]azepane-1-carboxylate CAS Name: 4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]azepane-1-carboxylate Traditional Name: 4-[6-chloro-3-(3-chlorobenzyl)-2-keto-indolin-3-yl]azepane-1-carboxylic acid tert-butyl ester Formula: C26H30Cl2N2O3 MolecularWeight: 489.434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(CC1)C2(C3=C(C=C(C=C3)Cl)NC2=O)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(CC1)C2(C3=C(C=C(C=C3)Cl)NC2=O)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H30Cl2N2O3/c1-25(2,3)33-24(32)30-12-5-7-18(11-13-30)26(16-17-6-4-8-19(27)14-17)21-10-9-20(28)15-22(21)29-23(26)31/h4,6,8-10,14-15,18H,5,7,11-13,16H2,1-3H3,(H,29,31)