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

Systemtic Name: 3-methyl-2-nitro-N-[4-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl]benzamide Openeye Name: N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-methyl-2-nitro-benzamide CAS Name: 3-methyl-2-nitro-N-[4-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]benzamide IUPAC Name: N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-methyl-2-nitrobenzamide Traditional Name: N-[4-[(4-benzylpiperazino)methyl]phenyl]-3-methyl-2-nitro-benzamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c1-20-6-5-9-24(25(20)30(32)33)26(31)27-23-12-10-22(11-13-23)19-29-16-14-28(15-17-29)18-21-7-3-2-4-8-21/h2-13H,14-19H2,1H3,(H,27,31)