1-[4-(4-chloranyl-2-nitro-phenyl)carbonylpiperazin-1-yl]-2-methyl-2-phenyl-propan-1-one

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)carbonylpiperazin-1-yl]-2-methyl-2-phenyl-propan-1-one Openeye Name: 1-[4-(4-chloro-2-nitro-benzoyl)piperazin-1-yl]-2-methyl-2-phenyl-propan-1-one CAS Name: 1-[4-[(4-chloro-2-nitrophenyl)-oxomethyl]-1-piperazinyl]-2-methyl-2-phenyl-1-propanone IUPAC Name: 1-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one Traditional Name: 1-[4-(4-chloro-2-nitro-benzoyl)piperazino]-2-methyl-2-phenyl-propan-1-one Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O4/c1-21(2,15-6-4-3-5-7-15)20(27)24-12-10-23(11-13-24)19(26)17-9-8-16(22)14-18(17)25(28)29/h3-9,14H,10-13H2,1-2H3