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4-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-3-nitro-benzamide

4-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-3-nitro-benzamide

Systemtic Name:4-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-3-nitro-benzamide
Openeye Name:4-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-3-nitro-benzamide
CAS Name:4-(1-azepanyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-nitrobenzamide
IUPAC Name:4-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-3-nitrobenzamide
Traditional Name:4-(azepan-1-yl)-3-nitro-N-veratryl-benzamide
Formula: C22H27N3O5
MolecularWeight: 413.46688
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])OC


Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])OC


InChI

InChI=1S/C22H27N3O5/c1-29-20-10-7-16(13-21(20)30-2)15-23-22(26)17-8-9-18(19(14-17)25(27)28)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,23,26)


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