(3-methylphenyl)-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (3-methylphenyl)-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: [4-(3-morpholino-4-nitro-phenyl)piperazin-1-yl]-(m-tolyl)methanone CAS Name: (3-methylphenyl)-[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (3-methylphenyl)-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(3-morpholino-4-nitro-phenyl)piperazino]-(m-tolyl)methanone Formula: C22H26N4O4 MolecularWeight: 410.46624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H26N4O4/c1-17-3-2-4-18(15-17)22(27)25-9-7-23(8-10-25)19-5-6-20(26(28)29)21(16-19)24-11-13-30-14-12-24/h2-6,15-16H,7-14H2,1H3