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

Systemtic Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: N-[4-(4-isovalerylpiperazino)phenyl]-3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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