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

Systemtic Name: 4-(azepan-1-yl)-N-(2-ethylphenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(2-ethylphenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(2-ethylphenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(2-ethylphenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(2-ethylphenyl)-3-nitro-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c1-2-16-9-5-6-10-18(16)22-21(25)17-11-12-19(20(15-17)24(26)27)23-13-7-3-4-8-14-23/h5-6,9-12,15H,2-4,7-8,13-14H2,1H3,(H,22,25)