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

Systemtic Name: [3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: [3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-[4-(3-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-[4-(3-pyridinylmethyl)-1-piperazinyl]methanone IUPAC Name: [3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: [3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-[4-(3-pyridylmethyl)piperazino]methanone Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O4/c1-19-14-23(7-8-24(19)29(31)32)33-18-20-4-2-6-22(15-20)25(30)28-12-10-27(11-13-28)17-21-5-3-9-26-16-21/h2-9,14-16H,10-13,17-18H2,1H3