1H-indol-3-yl 5-chloranyl-2-oxidanylidene-3-(2-propan-2-yloxyphenyl)-4-pyridin-4-yl-piperazine-1-carboxylate

Systemtic Name: 1H-indol-3-yl 5-chloranyl-2-oxidanylidene-3-(2-propan-2-yloxyphenyl)-4-pyridin-4-yl-piperazine-1-carboxylate Openeye Name: 1H-indol-3-yl 5-chloro-3-(2-isopropoxyphenyl)-2-oxo-4-(4-pyridyl)piperazine-1-carboxylate CAS Name: 5-chloro-2-oxo-3-(2-propan-2-yloxyphenyl)-4-pyridin-4-yl-1-piperazinecarboxylic acid 1H-indol-3-yl ester IUPAC Name: 1H-indol-3-yl 5-chloro-2-oxo-3-(2-propan-2-yloxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxylate Traditional Name: 5-chloro-3-(2-isopropoxyphenyl)-2-keto-4-(4-pyridyl)piperazine-1-carboxylic acid 1H-indol-3-yl ester Formula: C27H25ClN4O4 MolecularWeight: 504.9648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2C(=O)N(CC(N2C3=CC=NC=C3)Cl)C(=O)OC4=CNC5=CC=CC=C54

Isomeric SMILES

CC(C)OC1=CC=CC=C1C2C(=O)N(CC(N2C3=CC=NC=C3)Cl)C(=O)OC4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H25ClN4O4/c1-17(2)35-22-10-6-4-8-20(22)25-26(33)31(16-24(28)32(25)18-11-13-29-14-12-18)27(34)36-23-15-30-21-9-5-3-7-19(21)23/h3-15,17,24-25,30H,16H2,1-2H3