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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-16(2)17-7-10-19(11-8-17)23-22(26)18-9-12-20(21(15-18)25(27)28)24-13-5-3-4-6-14-24/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,23,26)