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4-(azepan-1-yl)-3-nitro-N-(2-propan-2-ylphenyl)benzamide

4-(azepan-1-yl)-3-nitro-N-(2-propan-2-ylphenyl)benzamide

Systemtic Name:4-(azepan-1-yl)-3-nitro-N-(2-propan-2-ylphenyl)benzamide
Openeye Name:4-(azepan-1-yl)-N-(2-isopropylphenyl)-3-nitro-benzamide
CAS Name:4-(1-azepanyl)-3-nitro-N-(2-propan-2-ylphenyl)benzamide
IUPAC Name:4-(azepan-1-yl)-3-nitro-N-(2-propan-2-ylphenyl)benzamide
Traditional Name:4-(azepan-1-yl)-3-nitro-N-o-cumenyl-benzamide
Formula: C22H27N3O3
MolecularWeight: 381.46808
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]


Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]


InChI

InChI=1S/C22H27N3O3/c1-16(2)18-9-5-6-10-19(18)23-22(26)17-11-12-20(21(15-17)25(27)28)24-13-7-3-4-8-14-24/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3,(H,23,26)


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