4-(azepan-1-yl)-N-[4-(dimethylcarbamoyl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[4-(dimethylcarbamoyl)phenyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[4-(dimethylcarbamoyl)phenyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[4-[dimethylamino(oxo)methyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[4-(dimethylcarbamoyl)phenyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[4-(dimethylcarbamoyl)phenyl]-3-nitro-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-24(2)22(28)16-7-10-18(11-8-16)23-21(27)17-9-12-19(20(15-17)26(29)30)25-13-5-3-4-6-14-25/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,27)