4-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-nitro-N-propan-2-yl-benzamide

Systemtic Name: 4-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-nitro-N-propan-2-yl-benzamide Openeye Name: 4-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-1-yl]-N-isopropyl-3-nitro-benzamide CAS Name: 4-[4-[2-(dimethylamino)-2-oxoethyl]-1-piperazinyl]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: 4-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-3-nitro-N-propan-2-ylbenzamide Traditional Name: 4-[4-[2-(dimethylamino)-2-keto-ethyl]piperazino]-N-isopropyl-3-nitro-benzamide Formula: C18H27N5O4 MolecularWeight: 377.43808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H27N5O4/c1-13(2)19-18(25)14-5-6-15(16(11-14)23(26)27)22-9-7-21(8-10-22)12-17(24)20(3)4/h5-6,11,13H,7-10,12H2,1-4H3,(H,19,25)