[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenethyl-1,2,3-triazol-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenethyl-1,2,3-triazol-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenethyltriazol-4-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(1-phenethyl-4-triazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenethyltriazol-4-yl)methanone Traditional Name: (1-phenethyltriazol-4-yl)-(4-piperonylpiperazino)methanone Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN(N=N4)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN(N=N4)CCC5=CC=CC=C5

InChI

InChI=1S/C23H25N5O3/c29-23(20-16-28(25-24-20)9-8-18-4-2-1-3-5-18)27-12-10-26(11-13-27)15-19-6-7-21-22(14-19)31-17-30-21/h1-7,14,16H,8-13,15,17H2