(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-[4-(m-tolylmethyl)piperazin-1-yl]methanone CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-[(3-methylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-[4-(3-methylbenzyl)piperazino]methanone Formula: C22H27BrN2O3 MolecularWeight: 447.36538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)CC3=CC=CC(=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)CC3=CC=CC(=C3)C)OC

InChI

InChI=1S/C22H27BrN2O3/c1-4-28-21-19(23)13-18(14-20(21)27-3)22(26)25-10-8-24(9-11-25)15-17-7-5-6-16(2)12-17/h5-7,12-14H,4,8-11,15H2,1-3H3