4-(azepan-1-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(2,6-dimethyl-4-morpholinyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-(2,6-dimethylmorpholino)ethyl]-3-nitro-benzamide Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)CCNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)CCNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H32N4O4/c1-16-14-23(15-17(2)29-16)12-9-22-21(26)18-7-8-19(20(13-18)25(27)28)24-10-5-3-4-6-11-24/h7-8,13,16-17H,3-6,9-12,14-15H2,1-2H3,(H,22,26)