[4-[2-(3-bromanylphenoxy)ethyl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[2-(3-bromanylphenoxy)ethyl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[2-(3-bromophenoxy)ethyl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[2-(3-bromophenoxy)ethyl]-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[2-(3-bromophenoxy)ethyl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-[2-(3-bromophenoxy)ethyl]piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C20H22BrN3O4 MolecularWeight: 448.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCOC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCOC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H22BrN3O4/c1-15-5-6-16(13-19(15)24(26)27)20(25)23-9-7-22(8-10-23)11-12-28-18-4-2-3-17(21)14-18/h2-6,13-14H,7-12H2,1H3