1-[4-(4-ethanoylphenyl)piperazin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one

Systemtic Name: 1-[4-(4-ethanoylphenyl)piperazin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one Openeye Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-4-(2-nitroanilino)butan-1-one CAS Name: 1-[4-(4-acetylphenyl)-1-piperazinyl]-4-(2-nitroanilino)-1-butanone IUPAC Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-4-(2-nitroanilino)butan-1-one Traditional Name: 1-[4-(4-acetylphenyl)piperazino]-4-(2-nitroanilino)butan-1-one Formula: C22H26N4O4 MolecularWeight: 410.46624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-17(27)18-8-10-19(11-9-18)24-13-15-25(16-14-24)22(28)7-4-12-23-20-5-2-3-6-21(20)26(29)30/h2-3,5-6,8-11,23H,4,7,12-16H2,1H3