N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-[4-(4-ethylbenzoyl)piperazino]phenyl]-4-morpholino-3-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=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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