2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]quinazolin-4-amine

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]quinazolin-4-amine Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]quinazolin-4-amine CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]quinazolin-4-amine Traditional Name: [2-[(4-piperonylpiperazino)methyl]quinazolin-4-yl]amine Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C21H23N5O2/c22-21-16-3-1-2-4-17(16)23-20(24-21)13-26-9-7-25(8-10-26)12-15-5-6-18-19(11-15)28-14-27-18/h1-6,11H,7-10,12-14H2,(H2,22,23,24)