1-[2-nitro-4-(propan-2-ylcarbamoyl)phenyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-nitro-4-(propan-2-ylcarbamoyl)phenyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[4-(isopropylcarbamoyl)-2-nitro-phenyl]piperidine-4-carboxamide CAS Name: 1-[2-nitro-4-[oxo-(propan-2-ylamino)methyl]phenyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[2-nitro-4-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[4-(isopropylcarbamoyl)-2-nitro-phenyl]isonipecotamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4/c1-16(2)25-23(29)19-8-9-20(21(14-19)27(30)31)26-12-10-18(11-13-26)22(28)24-15-17-6-4-3-5-7-17/h3-9,14,16,18H,10-13,15H2,1-2H3,(H,24,28)(H,25,29)