2-methyl-3-nitro-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]benzamide

Systemtic Name: 2-methyl-3-nitro-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-nitro-benzamide CAS Name: 2-methyl-3-nitro-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-2-methyl-3-nitro-benzamide Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3/c1-19-23(8-5-9-24(19)29(31)32)25(30)26-21-10-12-22(13-11-21)28-16-14-27(15-17-28)18-20-6-3-2-4-7-20/h2-13H,14-18H2,1H3,(H,26,30)