4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenyl)quinazoline

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenyl)quinazoline Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenyl)quinazoline CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-chlorophenyl)quinazoline IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenyl)quinazoline Traditional Name: 2-(4-chlorophenyl)-4-(4-piperonylpiperazino)quinazoline Formula: C26H23ClN4O2 MolecularWeight: 458.93942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(=NC5=CC=CC=C54)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(=NC5=CC=CC=C54)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C26H23ClN4O2/c27-20-8-6-19(7-9-20)25-28-22-4-2-1-3-21(22)26(29-25)31-13-11-30(12-14-31)16-18-5-10-23-24(15-18)33-17-32-23/h1-10,15H,11-14,16-17H2