4-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-3-nitro-benzamide Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1COC2=CC=CC=C2O1)C(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-24(15-18-16-30-21-8-4-5-9-22(21)31-18)23(27)17-10-11-19(20(14-17)26(28)29)25-12-6-2-3-7-13-25/h4-5,8-11,14,18H,2-3,6-7,12-13,15-16H2,1H3