tert-butyl 4-azanyl-2-[(2-oxidanylidene-4-phenylmethoxycarbonyl-piperazin-1-yl)methyl]pyrrolo[3,2-c]pyridine-1-carboxylate

Systemtic Name: tert-butyl 4-azanyl-2-[(2-oxidanylidene-4-phenylmethoxycarbonyl-piperazin-1-yl)methyl]pyrrolo[3,2-c]pyridine-1-carboxylate Openeye Name: tert-butyl 4-amino-2-[(4-benzyloxycarbonyl-2-oxo-piperazin-1-yl)methyl]pyrrolo[3,2-c]pyridine-1-carboxylate CAS Name: 4-amino-2-[(2-oxo-4-phenylmethoxycarbonyl-1-piperazinyl)methyl]-1-pyrrolo[3,2-c]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-2-[(2-oxo-4-phenylmethoxycarbonylpiperazin-1-yl)methyl]pyrrolo[3,2-c]pyridine-1-carboxylate Traditional Name: 4-amino-2-[(4-carbobenzoxy-2-keto-piperazino)methyl]pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester Formula: C25H29N5O5 MolecularWeight: 479.52826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O5/c1-25(2,3)35-24(33)30-18(13-19-20(30)9-10-27-22(19)26)14-28-11-12-29(15-21(28)31)23(32)34-16-17-7-5-4-6-8-17/h4-10,13H,11-12,14-16H2,1-3H3,(H2,26,27)