N-(2,3-dimethylphenyl)-2-[4-[4-(methylamino)-3-nitro-phenyl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[4-(methylamino)-3-nitro-phenyl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[4-(methylamino)-3-nitro-benzoyl]piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[4-(methylamino)-3-nitrobenzoyl]piperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[4-(methylamino)-3-nitro-benzoyl]piperazino]acetamide Formula: C22H27N5O4 MolecularWeight: 425.48088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-])C

InChI

InChI=1S/C22H27N5O4/c1-15-5-4-6-18(16(15)2)24-21(28)14-25-9-11-26(12-10-25)22(29)17-7-8-19(23-3)20(13-17)27(30)31/h4-8,13,23H,9-12,14H2,1-3H3,(H,24,28)