[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (3-chloro-4-isobutoxy-5-methoxy-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (3-chloro-4-isobutoxy-5-methoxy-phenyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C22H26ClN3O5 MolecularWeight: 447.91194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H26ClN3O5/c1-15(2)14-31-21-19(23)12-16(13-20(21)30-3)22(27)25-10-8-24(9-11-25)17-4-6-18(7-5-17)26(28)29/h4-7,12-13,15H,8-11,14H2,1-3H3