N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-[4-(4-ethylbenzoyl)piperazino]phenyl]-2-morpholino-5-nitro-benzamide Formula: C30H33N5O5 MolecularWeight: 543.61352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C30H33N5O5/c1-2-22-3-5-23(6-4-22)30(37)34-15-13-32(14-16-34)25-9-7-24(8-10-25)31-29(36)27-21-26(35(38)39)11-12-28(27)33-17-19-40-20-18-33/h3-12,21H,2,13-20H2,1H3,(H,31,36)