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

Systemtic Name: (4-bromanyl-3,5-dimethoxy-phenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (4-bromo-3,5-dimethoxy-phenyl)-[4-(m-tolylmethyl)piperazin-1-yl]methanone CAS Name: (4-bromo-3,5-dimethoxyphenyl)-[4-[(3-methylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (4-bromo-3,5-dimethoxyphenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: (4-bromo-3,5-dimethoxy-phenyl)-[4-(3-methylbenzyl)piperazino]methanone Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)Br)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)Br)OC

InChI

InChI=1S/C21H25BrN2O3/c1-15-5-4-6-16(11-15)14-23-7-9-24(10-8-23)21(25)17-12-18(26-2)20(22)19(13-17)27-3/h4-6,11-13H,7-10,14H2,1-3H3