4-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]-3-nitro-N-propan-2-yl-benzamide

Systemtic Name: 4-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]-3-nitro-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-4-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: 4-[4-(2-methyl-1-oxo-2-phenylpropyl)-1-piperazinyl]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: 4-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-3-nitro-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-4-[4-(2-methyl-2-phenyl-propanoyl)piperazino]-3-nitro-benzamide Formula: C24H30N4O4 MolecularWeight: 438.5194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C(C)(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C(C)(C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O4/c1-17(2)25-22(29)18-10-11-20(21(16-18)28(31)32)26-12-14-27(15-13-26)23(30)24(3,4)19-8-6-5-7-9-19/h5-11,16-17H,12-15H2,1-4H3,(H,25,29)