[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(benzotriazol-1-ylmethyl)phenyl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(benzotriazol-1-ylmethyl)phenyl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(benzotriazol-1-ylmethyl)phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[4-(1-benzotriazolylmethyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(benzotriazol-1-ylmethyl)phenyl]methanone Traditional Name: [4-(benzotriazol-1-ylmethyl)phenyl]-(4-piperonylpiperazino)methanone Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C26H25N5O3/c32-26(21-8-5-19(6-9-21)17-31-23-4-2-1-3-22(23)27-28-31)30-13-11-29(12-14-30)16-20-7-10-24-25(15-20)34-18-33-24/h1-10,15H,11-14,16-18H2