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

Systemtic Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-(4-isobutyrylpiperazino)phenyl]-4-morpholino-3-nitro-benzamide Formula: C25H31N5O5 MolecularWeight: 481.54414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H31N5O5/c1-18(2)25(32)29-11-9-27(10-12-29)21-6-4-20(5-7-21)26-24(31)19-3-8-22(23(17-19)30(33)34)28-13-15-35-16-14-28/h3-8,17-18H,9-16H2,1-2H3,(H,26,31)