1-[4-(4-nitrophenoxy)phenyl]-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-(4-nitrophenoxy)phenyl]-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-[4-(4-nitrophenoxy)phenyl]propan-1-one CAS Name: 1-[4-(4-nitrophenoxy)phenyl]-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-[4-(4-nitrophenoxy)phenyl]propan-1-one Traditional Name: 3-(4-benzylpiperazino)-1-[4-(4-nitrophenoxy)phenyl]propan-1-one Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4/c30-26(14-15-27-16-18-28(19-17-27)20-21-4-2-1-3-5-21)22-6-10-24(11-7-22)33-25-12-8-23(9-13-25)29(31)32/h1-13H,14-20H2