[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]-4-piperidyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-4-piperidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methanone Traditional Name: [1-(3-bromo-4-hydroxy-5-methoxy-benzyl)-4-piperidyl]-(4-piperonylpiperazino)methanone Formula: C26H32BrN3O5 MolecularWeight: 546.45338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Br)O

InChI

InChI=1S/C26H32BrN3O5/c1-33-24-14-19(12-21(27)25(24)31)16-28-6-4-20(5-7-28)26(32)30-10-8-29(9-11-30)15-18-2-3-22-23(13-18)35-17-34-22/h2-3,12-14,20,31H,4-11,15-17H2,1H3