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

Systemtic Name: 3-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-nitro-benzamide CAS Name: 3-methyl-N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-nitrobenzamide Traditional Name: N-[4-(4-isobutyrylpiperazino)phenyl]-3-methyl-4-nitro-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-15(2)22(28)25-12-10-24(11-13-25)19-7-5-18(6-8-19)23-21(27)17-4-9-20(26(29)30)16(3)14-17/h4-9,14-15H,10-13H2,1-3H3,(H,23,27)