tert-butyl 4-[[(3-nitro-7-phenyl-quinolin-4-yl)amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(3-nitro-7-phenyl-quinolin-4-yl)amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(3-nitro-7-phenyl-4-quinolyl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[(3-nitro-7-phenyl-4-quinolinyl)amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(3-nitro-7-phenylquinolin-4-yl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(3-nitro-7-phenyl-4-quinolyl)amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CNC2=C3C=CC(=CC3=NC=C2[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC2=C3C=CC(=CC3=NC=C2[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O4/c1-26(2,3)34-25(31)29-13-11-18(12-14-29)16-28-24-21-10-9-20(19-7-5-4-6-8-19)15-22(21)27-17-23(24)30(32)33/h4-10,15,17-18H,11-14,16H2,1-3H3,(H,27,28)