3-(1,3-benzodioxol-5-ylmethyl)-7-(4-phenylpiperazin-1-yl)carbonyl-1H-quinazoline-2,4-dione

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(4-phenylpiperazin-1-yl)carbonyl-1H-quinazoline-2,4-dione Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione Traditional Name: 7-(4-phenylpiperazine-1-carbonyl)-3-piperonyl-1H-quinazoline-2,4-quinone Formula: C27H24N4O5 MolecularWeight: 484.50326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H24N4O5/c32-25(30-12-10-29(11-13-30)20-4-2-1-3-5-20)19-7-8-21-22(15-19)28-27(34)31(26(21)33)16-18-6-9-23-24(14-18)36-17-35-23/h1-9,14-15H,10-13,16-17H2,(H,28,34)