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

Systemtic Name: 4-methoxy-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: N-[4-(4-isovalerylpiperazino)phenyl]-4-methoxy-3-nitro-benzamide Formula: C23H28N4O5 MolecularWeight: 440.49222

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O5/c1-16(2)14-22(28)26-12-10-25(11-13-26)19-7-5-18(6-8-19)24-23(29)17-4-9-21(32-3)20(15-17)27(30)31/h4-9,15-16H,10-14H2,1-3H3,(H,24,29)