4-(3-methylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(3-methylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(3-methylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(3-methylphenoxy)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(3-methylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(3-methylphenoxy)-1-[4-(4-nitrophenyl)piperazino]butan-1-one Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-17-4-2-5-20(16-17)28-15-3-6-21(25)23-13-11-22(12-14-23)18-7-9-19(10-8-18)24(26)27/h2,4-5,7-10,16H,3,6,11-15H2,1H3