[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-(4-morpholin-4-yl-3-nitro-phenyl)methanone

Systemtic Name: [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-(4-morpholin-4-yl-3-nitro-phenyl)methanone Openeye Name: (4-morpholino-3-nitro-phenyl)-[4-[2-(p-tolyl)ethyl]-1-piperidyl]methanone CAS Name: [4-[2-(4-methylphenyl)ethyl]-1-piperidinyl]-[4-(4-morpholinyl)-3-nitrophenyl]methanone IUPAC Name: [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone Traditional Name: (4-morpholino-3-nitro-phenyl)-[4-[2-(p-tolyl)ethyl]piperidino]methanone Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H31N3O4/c1-19-2-4-20(5-3-19)6-7-21-10-12-27(13-11-21)25(29)22-8-9-23(24(18-22)28(30)31)26-14-16-32-17-15-26/h2-5,8-9,18,21H,6-7,10-17H2,1H3