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

Systemtic Name: N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-propionylpiperazino)phenyl]-4-morpholino-3-nitro-benzamide Formula: C24H28ClN5O5 MolecularWeight: 501.96262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN5O5/c1-2-23(31)29-9-7-27(8-10-29)20-6-4-18(16-19(20)25)26-24(32)17-3-5-21(22(15-17)30(33)34)28-11-13-35-14-12-28/h3-6,15-16H,2,7-14H2,1H3,(H,26,32)