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

Systemtic Name: 1-[2-(cyclopropylcarbamoyl)-4-nitro-phenyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[2-(cyclopropylcarbamoyl)-4-nitro-phenyl]piperidine-4-carboxamide CAS Name: 1-[2-[(cyclopropylamino)-oxomethyl]-4-nitrophenyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[2-(cyclopropylcarbamoyl)-4-nitrophenyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[2-(cyclopropylcarbamoyl)-4-nitro-phenyl]isonipecotamide Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O4/c28-22(24-15-16-4-2-1-3-5-16)17-10-12-26(13-11-17)21-9-8-19(27(30)31)14-20(21)23(29)25-18-6-7-18/h1-5,8-9,14,17-18H,6-7,10-13,15H2,(H,24,28)(H,25,29)