N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-16(2)15-21(27)25-13-11-24(12-14-25)19-9-5-18(6-10-19)23-22(28)17-3-7-20(8-4-17)26(29)30/h3-10,16H,11-15H2,1-2H3,(H,23,28)