(3-bromanyl-5-methoxy-4-propoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (3-bromanyl-5-methoxy-4-propoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(3-bromo-5-methoxy-4-propoxy-phenyl)methanone CAS Name: (3-bromo-5-methoxy-4-propoxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(3-bromo-5-methoxy-4-propoxyphenyl)methanone Traditional Name: (4-benzylpiperazino)-(3-bromo-5-methoxy-4-propoxy-phenyl)methanone Formula: C22H27BrN2O3 MolecularWeight: 447.36538

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H27BrN2O3/c1-3-13-28-21-19(23)14-18(15-20(21)27-2)22(26)25-11-9-24(10-12-25)16-17-7-5-4-6-8-17/h4-8,14-15H,3,9-13,16H2,1-2H3