4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-chloranyl-6,7-dimethoxy-quinazoline

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-chloranyl-6,7-dimethoxy-quinazoline Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-chloro-6,7-dimethoxy-quinazoline CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-chloro-6,7-dimethoxyquinazoline IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-chloro-6,7-dimethoxyquinazoline Traditional Name: 2-chloro-6,7-dimethoxy-4-(4-piperonylpiperazino)quinazoline Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C22H23ClN4O4/c1-28-18-10-15-16(11-19(18)29-2)24-22(23)25-21(15)27-7-5-26(6-8-27)12-14-3-4-17-20(9-14)31-13-30-17/h3-4,9-11H,5-8,12-13H2,1-2H3