N-[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[2-[4-(4-chlorobenzoyl)piperazino]phenyl]-4-morpholino-3-nitro-benzamide Formula: C28H28ClN5O5 MolecularWeight: 550.00542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H28ClN5O5/c29-22-8-5-20(6-9-22)28(36)33-13-11-31(12-14-33)24-4-2-1-3-23(24)30-27(35)21-7-10-25(26(19-21)34(37)38)32-15-17-39-18-16-32/h1-10,19H,11-18H2,(H,30,35)