1-[4-[4-(diphenylmethyl)piperazin-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(diphenylmethyl)piperazin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(4-benzhydrylpiperazin-1-yl)-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(diphenylmethyl)-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(4-benzhydrylpiperazin-1-yl)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(4-benzhydrylpiperazino)-3-nitro-phenyl]ethanone Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O3/c1-19(29)22-12-13-23(24(18-22)28(30)31)26-14-16-27(17-15-26)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,25H,14-17H2,1H3