2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(2-methyl-1-oxo-2-phenylpropyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(2-methyl-2-phenyl-propanoyl)piperazino]-5-nitro-benzonitrile Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-21(2,17-6-4-3-5-7-17)20(26)24-12-10-23(11-13-24)19-9-8-18(25(27)28)14-16(19)15-22/h3-9,14H,10-13H2,1-2H3