N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-15-7-9-24(10-8-15)18-5-3-16(13-19(18)25(27)28)22(26)23-17-4-6-20-21(14-17)30-12-2-11-29-20/h3-6,13-15H,2,7-12H2,1H3,(H,23,26)