1-[4-[4-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methylamino]phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methylamino]phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methylamino]phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[(3-bromo-5-ethoxy-4-methoxy-benzyl)amino]phenyl]piperazino]ethanone Formula: C22H28BrN3O3 MolecularWeight: 462.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)Br)OC

InChI

InChI=1S/C22H28BrN3O3/c1-4-29-21-14-17(13-20(23)22(21)28-3)15-24-18-5-7-19(8-6-18)26-11-9-25(10-12-26)16(2)27/h5-8,13-14,24H,4,9-12,15H2,1-3H3