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

Systemtic Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-[4-(2-chlorobenzyl)piperazino]phenyl]-4-morpholino-3-nitro-benzamide Formula: C28H30ClN5O4 MolecularWeight: 536.0219

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C28H30ClN5O4/c29-25-4-2-1-3-22(25)20-31-11-13-32(14-12-31)24-8-6-23(7-9-24)30-28(35)21-5-10-26(27(19-21)34(36)37)33-15-17-38-18-16-33/h1-10,19H,11-18,20H2,(H,30,35)