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

Systemtic Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: [4-[2-(4-methoxyphenoxy)ethyl]-1-piperazinyl]-(3-methyl-4-nitrophenyl)methanone IUPAC Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-4-nitrophenyl)methanone Traditional Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazino]-(3-methyl-4-nitro-phenyl)methanone Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-16-15-17(3-8-20(16)24(26)27)21(25)23-11-9-22(10-12-23)13-14-29-19-6-4-18(28-2)5-7-19/h3-8,15H,9-14H2,1-2H3