4-(azepan-1-yl)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[(2R)-2-(dimethylamino)-2-(2-furyl)ethyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[(2R)-2-(dimethylamino)-2-(2-furanyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[(2R)-2-(dimethylamino)-2-(2-furyl)ethyl]-3-nitro-benzamide Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

CN(C)[C@H](CNC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C21H28N4O4/c1-23(2)19(20-8-7-13-29-20)15-22-21(26)16-9-10-17(18(14-16)25(27)28)24-11-5-3-4-6-12-24/h7-10,13-14,19H,3-6,11-12,15H2,1-2H3,(H,22,26)/t19-/m1/s1