3-methyl-1-[4-[2-nitro-4-(phenylcarbonyl)phenyl]piperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[2-nitro-4-(phenylcarbonyl)phenyl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(4-benzoyl-2-nitro-phenyl)piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-(4-benzoyl-2-nitrophenyl)-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-(4-benzoyl-2-nitrophenyl)piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(4-benzoyl-2-nitro-phenyl)piperazino]-3-methyl-butan-1-one Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4/c1-16(2)14-21(26)24-12-10-23(11-13-24)19-9-8-18(15-20(19)25(28)29)22(27)17-6-4-3-5-7-17/h3-9,15-16H,10-14H2,1-2H3