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

Systemtic Name: 4-(azepan-1-yl)-N-[(4-methylphenyl)methyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-(p-tolylmethyl)benzamide CAS Name: 4-(1-azepanyl)-N-[(4-methylphenyl)methyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[(4-methylphenyl)methyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(4-methylbenzyl)-3-nitro-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-16-6-8-17(9-7-16)15-22-21(25)18-10-11-19(20(14-18)24(26)27)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13,15H2,1H3,(H,22,25)