(4-butylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (4-butylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (4-butylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (4-butylphenyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (4-butylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (4-butylphenyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c1-2-3-4-17-5-7-18(8-6-17)21(25)23-15-13-22(14-16-23)19-9-11-20(12-10-19)24(26)27/h5-12H,2-4,13-16H2,1H3