tert-butyl 2-[(2-oxidanylidene-4-phenylmethoxycarbonyl-piperazin-1-yl)methyl]imidazo[4,5-c]pyridine-1-carboxylate

Systemtic Name: tert-butyl 2-[(2-oxidanylidene-4-phenylmethoxycarbonyl-piperazin-1-yl)methyl]imidazo[4,5-c]pyridine-1-carboxylate Openeye Name: tert-butyl 2-[(4-benzyloxycarbonyl-2-oxo-piperazin-1-yl)methyl]imidazo[4,5-c]pyridine-1-carboxylate CAS Name: 2-[(2-oxo-4-phenylmethoxycarbonyl-1-piperazinyl)methyl]-1-imidazo[4,5-c]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-oxo-4-phenylmethoxycarbonylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridine-1-carboxylate Traditional Name: 2-[(4-carbobenzoxy-2-keto-piperazino)methyl]imidazo[4,5-c]pyridine-1-carboxylic acid tert-butyl ester Formula: C24H27N5O5 MolecularWeight: 465.50168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=NC=C2)N=C1CN3CCN(CC3=O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=NC=C2)N=C1CN3CCN(CC3=O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O5/c1-24(2,3)34-23(32)29-19-9-10-25-13-18(19)26-20(29)14-27-11-12-28(15-21(27)30)22(31)33-16-17-7-5-4-6-8-17/h4-10,13H,11-12,14-16H2,1-3H3