4-(4-chloranyl-3-methyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-chloro-3-methylphenoxy)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-chloro-3-methylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-1-[4-(4-nitrophenyl)piperazino]butan-1-one Formula: C21H24ClN3O4 MolecularWeight: 417.88596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H24ClN3O4/c1-16-15-19(8-9-20(16)22)29-14-2-3-21(26)24-12-10-23(11-13-24)17-4-6-18(7-5-17)25(27)28/h4-9,15H,2-3,10-14H2,1H3