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

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-4-morpholino-3-nitro-benzamide Formula: C26H32ClN5O5 MolecularWeight: 530.01578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32ClN5O5/c1-18(2)15-25(33)31-9-7-29(8-10-31)22-6-4-20(17-21(22)27)28-26(34)19-3-5-23(24(16-19)32(35)36)30-11-13-37-14-12-30/h3-6,16-18H,7-15H2,1-2H3,(H,28,34)