3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-(phenylcarbonyl)-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-(phenylcarbonyl)-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-benzoyl-1,3-benzoxazol-2-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-6-benzoyl-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-benzoyl-1,3-benzoxazol-2-one Traditional Name: 6-benzoyl-3-[(4-piperonylpiperazino)methyl]-1,3-benzoxazol-2-one Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C5=C(C=C(C=C5)C(=O)C6=CC=CC=C6)OC4=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C5=C(C=C(C=C5)C(=O)C6=CC=CC=C6)OC4=O

InChI

InChI=1S/C27H25N3O5/c31-26(20-4-2-1-3-5-20)21-7-8-22-24(15-21)35-27(32)30(22)17-29-12-10-28(11-13-29)16-19-6-9-23-25(14-19)34-18-33-23/h1-9,14-15H,10-13,16-18H2