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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-phenethyl-quinazolin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-phenethyl-quinazolin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-phenethyl-4-quinazolinone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-phenethylquinazolin-4-one Traditional Name: 3-phenethyl-2-(4-piperonylpiperazino)quinazolin-4-one Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5C(=O)N4CCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5C(=O)N4CCC6=CC=CC=C6

InChI

InChI=1S/C28H28N4O3/c33-27-23-8-4-5-9-24(23)29-28(32(27)13-12-21-6-2-1-3-7-21)31-16-14-30(15-17-31)19-22-10-11-25-26(18-22)35-20-34-25/h1-11,18H,12-17,19-20H2