tert-butyl 3-[[1-[(6-nitroindazol-1-yl)methyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[1-[(6-nitroindazol-1-yl)methyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[1-[(6-nitroindazol-1-yl)methyl]-3-piperidyl]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[[1-[(6-nitro-1-indazolyl)methyl]-3-piperidinyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-[(6-nitroindazol-1-yl)methyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[1-[(6-nitroindazol-1-yl)methyl]-3-piperidyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H34N6O5 MolecularWeight: 486.56396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2CCCN(C2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2CCCN(C2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

InChI

InChI=1S/C24H34N6O5/c1-24(2,3)35-23(32)28-11-4-6-18(14-28)22(31)26-19-7-5-10-27(15-19)16-29-21-12-20(30(33)34)9-8-17(21)13-25-29/h8-9,12-13,18-19H,4-7,10-11,14-16H2,1-3H3,(H,26,31)