1-[2-[benzotriazol-1-yl-(pyridin-2-ylamino)methyl]-4-nitro-phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[benzotriazol-1-yl-(pyridin-2-ylamino)methyl]-4-nitro-phenyl]piperidine-4-carboxamide Openeye Name: 1-[2-[benzotriazol-1-yl-(2-pyridylamino)methyl]-4-nitro-phenyl]piperidine-4-carboxamide CAS Name: 1-[2-[1-benzotriazolyl-(2-pyridinylamino)methyl]-4-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[benzotriazol-1-yl-(pyridin-2-ylamino)methyl]-4-nitrophenyl]piperidine-4-carboxamide Traditional Name: 1-[2-[benzotriazol-1-yl-(2-pyridylamino)methyl]-4-nitro-phenyl]isonipecotamide Formula: C24H24N8O3 MolecularWeight: 472.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C2=C(C=C(C=C2)[N+](=O)[O-])C(NC3=CC=CC=N3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCC1C(=O)N)C2=C(C=C(C=C2)[N+](=O)[O-])C(NC3=CC=CC=N3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C24H24N8O3/c25-23(33)16-10-13-30(14-11-16)20-9-8-17(32(34)35)15-18(20)24(27-22-7-3-4-12-26-22)31-21-6-2-1-5-19(21)28-29-31/h1-9,12,15-16,24H,10-11,13-14H2,(H2,25,33)(H,26,27)