[4-(3-methylbutyl)piperazin-1-yl]-(3-methyl-2-nitro-phenyl)methanone

Systemtic Name: [4-(3-methylbutyl)piperazin-1-yl]-(3-methyl-2-nitro-phenyl)methanone Openeye Name: (4-isopentylpiperazin-1-yl)-(3-methyl-2-nitro-phenyl)methanone CAS Name: [4-(3-methylbutyl)-1-piperazinyl]-(3-methyl-2-nitrophenyl)methanone IUPAC Name: [4-(3-methylbutyl)piperazin-1-yl]-(3-methyl-2-nitrophenyl)methanone Traditional Name: (4-isoamylpiperazino)-(3-methyl-2-nitro-phenyl)methanone Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-13(2)7-8-18-9-11-19(12-10-18)17(21)15-6-4-5-14(3)16(15)20(22)23/h4-6,13H,7-12H2,1-3H3