(2-morpholin-4-yl-5-nitro-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (2-morpholin-4-yl-5-nitro-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(2-morpholino-5-nitro-phenyl)methanone CAS Name: [2-(4-morpholinyl)-5-nitrophenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(2-morpholin-4-yl-5-nitrophenyl)methanone Traditional Name: (4-benzylpiperazino)-(2-morpholino-5-nitro-phenyl)methanone Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H26N4O4/c27-22(25-10-8-23(9-11-25)17-18-4-2-1-3-5-18)20-16-19(26(28)29)6-7-21(20)24-12-14-30-15-13-24/h1-7,16H,8-15,17H2