4-nitro-N-[4-(4-pentanoylpiperazin-1-yl)phenyl]benzamide

Systemtic Name: 4-nitro-N-[4-(4-pentanoylpiperazin-1-yl)phenyl]benzamide Openeye Name: 4-nitro-N-[4-(4-pentanoylpiperazin-1-yl)phenyl]benzamide CAS Name: 4-nitro-N-[4-[4-(1-oxopentyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 4-nitro-N-[4-(4-pentanoylpiperazin-1-yl)phenyl]benzamide Traditional Name: 4-nitro-N-[4-(4-valerylpiperazino)phenyl]benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-2-3-4-21(27)25-15-13-24(14-16-25)19-11-7-18(8-12-19)23-22(28)17-5-9-20(10-6-17)26(29)30/h5-12H,2-4,13-16H2,1H3,(H,23,28)