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

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

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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)C(=O)C(C)C

Isomeric SMILES

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

InChI

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