N-[2-(4-methoxyphenyl)ethyl]-1-(4-nitrophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-1-(4-nitrophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-1-(4-nitrobenzoyl)piperidine-4-carboxamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-1-[(4-nitrophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-1-(4-nitrobenzoyl)piperidine-4-carboxamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-1-(4-nitrobenzoyl)isonipecotamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-30-20-8-2-16(3-9-20)10-13-23-21(26)17-11-14-24(15-12-17)22(27)18-4-6-19(7-5-18)25(28)29/h2-9,17H,10-15H2,1H3,(H,23,26)