5-(1,3-benzodioxol-5-ylmethyl)-5-[3-oxidanylidene-3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]pyrrolidin-2-one

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-5-[3-oxidanylidene-3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]pyrrolidin-2-one Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-5-[3-oxo-3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]pyrrolidin-2-one CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-5-[3-oxo-3-[4-(4-quinazolinyl)-1-piperazinyl]propyl]-2-pyrrolidinone IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-5-[3-oxo-3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]pyrrolidin-2-one Traditional Name: 5-[3-keto-3-(4-quinazolin-4-ylpiperazino)propyl]-5-piperonyl-2-pyrrolidone Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1=O)(CCC(=O)N2CCN(CC2)C3=NC=NC4=CC=CC=C43)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC(NC1=O)(CCC(=O)N2CCN(CC2)C3=NC=NC4=CC=CC=C43)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H29N5O4/c33-24-7-9-27(30-24,16-19-5-6-22-23(15-19)36-18-35-22)10-8-25(34)31-11-13-32(14-12-31)26-20-3-1-2-4-21(20)28-17-29-26/h1-6,15,17H,7-14,16,18H2,(H,30,33)