1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-nitro-2,6-diphenyl-phenoxy)ethanone

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-nitro-2,6-diphenyl-phenoxy)ethanone Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-nitro-2,6-diphenyl-phenoxy)ethanone CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-(4-nitro-2,6-diphenylphenoxy)ethanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-nitro-2,6-diphenylphenoxy)ethanone Traditional Name: 1-[4-(4-chlorobenzyl)piperazino]-2-(4-nitro-2,6-diphenyl-phenoxy)ethanone Formula: C31H28ClN3O4 MolecularWeight: 542.02472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=C(C=C3C4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=C(C=C3C4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C31H28ClN3O4/c32-26-13-11-23(12-14-26)21-33-15-17-34(18-16-33)30(36)22-39-31-28(24-7-3-1-4-8-24)19-27(35(37)38)20-29(31)25-9-5-2-6-10-25/h1-14,19-20H,15-18,21-22H2