tert-butyl 4-[2-[5-chloranyl-2-(4-methylpyridin-2-yl)carbonyl-1H-indol-3-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[5-chloranyl-2-(4-methylpyridin-2-yl)carbonyl-1H-indol-3-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[5-chloro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[5-chloro-2-[(4-methyl-2-pyridinyl)-oxomethyl]-1H-indol-3-yl]-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[5-chloro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[5-chloro-2-(4-methylpicolinoyl)-1H-indol-3-yl]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H29ClN4O4 MolecularWeight: 496.98586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C(=O)C2=C(C3=C(N2)C=CC(=C3)Cl)CC(=O)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=NC=C1)C(=O)C2=C(C3=C(N2)C=CC(=C3)Cl)CC(=O)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H29ClN4O4/c1-16-7-8-28-21(13-16)24(33)23-19(18-14-17(27)5-6-20(18)29-23)15-22(32)30-9-11-31(12-10-30)25(34)35-26(2,3)4/h5-8,13-14,29H,9-12,15H2,1-4H3