2-(azepan-1-yl)-N-ethyl-5-nitro-N-phenyl-benzamide

Systemtic Name: 2-(azepan-1-yl)-N-ethyl-5-nitro-N-phenyl-benzamide Openeye Name: 2-(azepan-1-yl)-N-ethyl-5-nitro-N-phenyl-benzamide CAS Name: 2-(1-azepanyl)-N-ethyl-5-nitro-N-phenylbenzamide IUPAC Name: 2-(azepan-1-yl)-N-ethyl-5-nitro-N-phenylbenzamide Traditional Name: 2-(azepan-1-yl)-N-ethyl-5-nitro-N-phenyl-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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