1,3-benzodioxol-5-yl-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[4-(1-phenylethylamino)-2-quinazolinyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazino]methanone Formula: C28H27N5O3 MolecularWeight: 481.54568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H27N5O3/c1-19(20-7-3-2-4-8-20)29-26-22-9-5-6-10-23(22)30-28(31-26)33-15-13-32(14-16-33)27(34)21-11-12-24-25(17-21)36-18-35-24/h2-12,17,19H,13-16,18H2,1H3,(H,29,30,31)