methyl 3-[2-oxidanylidene-2-[3-pentyl-4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]-1H-indole-7-carboxylate

Systemtic Name: methyl 3-[2-oxidanylidene-2-[3-pentyl-4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]-1H-indole-7-carboxylate Openeye Name: methyl 3-[2-(4-benzoyl-3-pentyl-piperazin-1-yl)-2-oxo-acetyl]-1H-indole-7-carboxylate CAS Name: 3-[2-(4-benzoyl-3-pentyl-1-piperazinyl)-1,2-dioxoethyl]-1H-indole-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-benzoyl-3-pentylpiperazin-1-yl)-2-oxoacetyl]-1H-indole-7-carboxylate Traditional Name: 3-[2-(3-amyl-4-benzoyl-piperazino)-2-keto-acetyl]-1H-indole-7-carboxylic acid methyl ester Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C3C=CC=C4C(=O)OC

Isomeric SMILES

CCCCCC1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C3C=CC=C4C(=O)OC

InChI

InChI=1S/C28H31N3O5/c1-3-4-6-12-20-18-30(15-16-31(20)26(33)19-10-7-5-8-11-19)27(34)25(32)23-17-29-24-21(23)13-9-14-22(24)28(35)36-2/h5,7-11,13-14,17,20,29H,3-4,6,12,15-16,18H2,1-2H3