tert-butyl 4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(1-benzyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(1-benzyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H31N3O3/c1-17-15-20(18(2)26(17)16-19-9-7-6-8-10-19)21(27)24-11-13-25(14-12-24)22(28)29-23(3,4)5/h6-10,15H,11-14,16H2,1-5H3