4-(azepan-1-yl)-N-(3,5-dimethylphenyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(3,5-dimethylphenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(3,5-dimethylphenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(3,5-dimethylphenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(3,5-dimethylphenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(3,5-dimethylphenyl)-3-nitro-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O3/c1-15-11-16(2)13-18(12-15)22-21(25)17-7-8-19(20(14-17)24(26)27)23-9-5-3-4-6-10-23/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,22,25)