[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-[[(4-fluorophenyl)methyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-[[(4-fluorophenyl)methyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-[[(4-benzyloxyphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]thiazol-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-[[(4-fluorophenyl)methyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-4-thiazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-[[(4-fluorophenyl)methyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]methanone Traditional Name: [2-[[(4-benzoxybenzyl)-(4-fluorobenzyl)amino]methyl]thiazol-4-yl]-(4-piperonylpiperazino)methanone Formula: C38H37FN4O4S MolecularWeight: 664.788183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CSC(=N4)CN(CC5=CC=C(C=C5)OCC6=CC=CC=C6)CC7=CC=C(C=C7)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CSC(=N4)CN(CC5=CC=C(C=C5)OCC6=CC=CC=C6)CC7=CC=C(C=C7)F

InChI

InChI=1S/C38H37FN4O4S/c39-32-11-6-28(7-12-32)21-42(22-29-8-13-33(14-9-29)45-25-30-4-2-1-3-5-30)24-37-40-34(26-48-37)38(44)43-18-16-41(17-19-43)23-31-10-15-35-36(20-31)47-27-46-35/h1-15,20,26H,16-19,21-25,27H2