2-[4-[4-(methylamino)-3-nitro-phenyl]carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-(methylamino)-3-nitro-phenyl]carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-(methylamino)-3-nitro-benzoyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-(methylamino)-3-nitrobenzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-(methylamino)-3-nitro-benzoyl]piperazino]-1-pyrrolidino-ethanone Formula: C18H25N5O4 MolecularWeight: 375.4222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4/c1-19-15-5-4-14(12-16(15)23(26)27)18(25)22-10-8-20(9-11-22)13-17(24)21-6-2-3-7-21/h4-5,12,19H,2-3,6-11,13H2,1H3