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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-15-4-2-9-24(14-15)18-7-5-16(12-19(18)25(27)28)22(26)23-17-6-8-20-21(13-17)30-11-3-10-29-20/h5-8,12-13,15H,2-4,9-11,14H2,1H3,(H,23,26)