1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one

Systemtic Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one Openeye Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(2-nitroanilino)butan-1-one CAS Name: 1-[4-(3-methoxyphenyl)-1-piperazinyl]-4-(2-nitroanilino)-1-butanone IUPAC Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(2-nitroanilino)butan-1-one Traditional Name: 1-[4-(3-methoxyphenyl)piperazino]-4-(2-nitroanilino)butan-1-one Formula: C21H26N4O4 MolecularWeight: 398.45554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-29-18-7-4-6-17(16-18)23-12-14-24(15-13-23)21(26)10-5-11-22-19-8-2-3-9-20(19)25(27)28/h2-4,6-9,16,22H,5,10-15H2,1H3