[4-(2-methyl-4-nitro-phenyl)piperazin-1-yl]-(4-propoxyphenyl)methanone

Systemtic Name: [4-(2-methyl-4-nitro-phenyl)piperazin-1-yl]-(4-propoxyphenyl)methanone Openeye Name: [4-(2-methyl-4-nitro-phenyl)piperazin-1-yl]-(4-propoxyphenyl)methanone CAS Name: [4-(2-methyl-4-nitrophenyl)-1-piperazinyl]-(4-propoxyphenyl)methanone IUPAC Name: [4-(2-methyl-4-nitrophenyl)piperazin-1-yl]-(4-propoxyphenyl)methanone Traditional Name: [4-(2-methyl-4-nitro-phenyl)piperazino]-(4-propoxyphenyl)methanone Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O4/c1-3-14-28-19-7-4-17(5-8-19)21(25)23-12-10-22(11-13-23)20-9-6-18(24(26)27)15-16(20)2/h4-9,15H,3,10-14H2,1-2H3