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

Systemtic Name: 4-(azepan-1-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-nitro-benzamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3COC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC[C@@H]3COC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c26-22(23-14-17-15-29-20-7-3-4-8-21(20)30-17)16-9-10-18(19(13-16)25(27)28)24-11-5-1-2-6-12-24/h3-4,7-10,13,17H,1-2,5-6,11-12,14-15H2,(H,23,26)/t17-/m1/s1