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

Systemtic Name: tert-butyl 7-methyl-3-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-7-methyl-indole-1-carboxylate CAS Name: 3-[2-(4-benzoyl-1-piperazinyl)-1,2-dioxoethyl]-7-methyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-7-methylindole-1-carboxylate Traditional Name: 3-[2-(4-benzoylpiperazino)-2-keto-acetyl]-7-methyl-indole-1-carboxylic acid tert-butyl ester Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C=C2C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1N(C=C2C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H29N3O5/c1-18-9-8-12-20-21(17-30(22(18)20)26(34)35-27(2,3)4)23(31)25(33)29-15-13-28(14-16-29)24(32)19-10-6-5-7-11-19/h5-12,17H,13-16H2,1-4H3