(2-nitrophenyl) 4-[6-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyridin-2-yl]piperidine-1-carboxylate

Systemtic Name: (2-nitrophenyl) 4-[6-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyridin-2-yl]piperidine-1-carboxylate Openeye Name: (2-nitrophenyl) 4-[6-methyl-3-(3-pyridylmethylcarbamoyl)-2-pyridyl]piperidine-1-carboxylate CAS Name: 4-[6-methyl-3-[oxo-(3-pyridinylmethylamino)methyl]-2-pyridinyl]-1-piperidinecarboxylic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 4-[6-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyridin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[6-methyl-3-(3-pyridylmethylcarbamoyl)-2-pyridyl]piperidine-1-carboxylic acid (2-nitrophenyl) ester Formula: C25H25N5O5 MolecularWeight: 475.4965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCC2=CN=CC=C2)C3CCN(CC3)C(=O)OC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCC2=CN=CC=C2)C3CCN(CC3)C(=O)OC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O5/c1-17-8-9-20(24(31)27-16-18-5-4-12-26-15-18)23(28-17)19-10-13-29(14-11-19)25(32)35-22-7-3-2-6-21(22)30(33)34/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,27,31)