[3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]methanone CAS Name: [3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methanone Traditional Name: (4-benzylpiperazino)-[3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]methanone Formula: C26H27N3O4 MolecularWeight: 445.51028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O4/c1-20-16-24(10-11-25(20)29(31)32)33-19-22-8-5-9-23(17-22)26(30)28-14-12-27(13-15-28)18-21-6-3-2-4-7-21/h2-11,16-17H,12-15,18-19H2,1H3