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

Systemtic Name: methyl 3-[2-[2-ethyl-4-(phenylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]-1H-indole-7-carboxylate Openeye Name: methyl 3-[2-(4-benzoyl-2-ethyl-piperazin-1-yl)-2-oxo-acetyl]-1H-indole-7-carboxylate CAS Name: 3-[2-(4-benzoyl-2-ethyl-1-piperazinyl)-1,2-dioxoethyl]-1H-indole-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-benzoyl-2-ethylpiperazin-1-yl)-2-oxoacetyl]-1H-indole-7-carboxylate Traditional Name: 3-[2-(4-benzoyl-2-ethyl-piperazino)-2-keto-acetyl]-1H-indole-7-carboxylic acid methyl ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1C(=O)C(=O)C2=CNC3=C2C=CC=C3C(=O)OC)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1CN(CCN1C(=O)C(=O)C2=CNC3=C2C=CC=C3C(=O)OC)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O5/c1-3-17-15-27(23(30)16-8-5-4-6-9-16)12-13-28(17)24(31)22(29)20-14-26-21-18(20)10-7-11-19(21)25(32)33-2/h4-11,14,17,26H,3,12-13,15H2,1-2H3