4-(azepan-1-yl)-N-(3-bromophenyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(3-bromophenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(3-bromophenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(3-bromophenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(3-bromophenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(3-bromophenyl)-3-nitro-benzamide Formula: C19H20BrN3O3 MolecularWeight: 418.2844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H20BrN3O3/c20-15-6-5-7-16(13-15)21-19(24)14-8-9-17(18(12-14)23(25)26)22-10-3-1-2-4-11-22/h5-9,12-13H,1-4,10-11H2,(H,21,24)