N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-nitrophenyl)isonipecotamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])OC1

InChI

InChI=1S/C21H23N3O5/c25-21(22-16-6-7-19-20(14-16)29-13-3-12-28-19)15-8-10-23(11-9-15)17-4-1-2-5-18(17)24(26)27/h1-2,4-7,14-15H,3,8-13H2,(H,22,25)