N-[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[3-chloro-2-(4-propionylpiperazino)phenyl]-2-morpholino-5-nitro-benzamide Formula: C24H28ClN5O5 MolecularWeight: 501.96262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

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