(5-bromanyl-2-propoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (5-bromanyl-2-propoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(5-bromo-2-propoxy-phenyl)methanone CAS Name: (5-bromo-2-propoxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(5-bromo-2-propoxyphenyl)methanone Traditional Name: (4-benzylpiperazino)-(5-bromo-2-propoxy-phenyl)methanone Formula: C21H25BrN2O2 MolecularWeight: 417.3394

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25BrN2O2/c1-2-14-26-20-9-8-18(22)15-19(20)21(25)24-12-10-23(11-13-24)16-17-6-4-3-5-7-17/h3-9,15H,2,10-14,16H2,1H3