4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-(1H-pyrazol-4-yl)quinazoline IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Traditional Name: 4-(4-piperonylpiperazino)-6-(1H-pyrazol-4-yl)quinazoline Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4C=C(C=C5)C6=CNN=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4C=C(C=C5)C6=CNN=C6

InChI

InChI=1S/C23H22N6O2/c1-4-21-22(31-15-30-21)9-16(1)13-28-5-7-29(8-6-28)23-19-10-17(18-11-26-27-12-18)2-3-20(19)24-14-25-23/h1-4,9-12,14H,5-8,13,15H2,(H,26,27)