6-chloranyl-3-[2-oxidanylidene-3-(3-oxidanylpyrrolidin-2-yl)propyl]-7-(phenylmethyl)quinazolin-4-one

Systemtic Name: 6-chloranyl-3-[2-oxidanylidene-3-(3-oxidanylpyrrolidin-2-yl)propyl]-7-(phenylmethyl)quinazolin-4-one Openeye Name: 7-benzyl-6-chloro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxo-propyl]quinazolin-4-one CAS Name: 6-chloro-3-[3-(3-hydroxy-2-pyrrolidinyl)-2-oxopropyl]-7-(phenylmethyl)-4-quinazolinone IUPAC Name: 7-benzyl-6-chloro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one Traditional Name: 7-benzyl-6-chloro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-keto-propyl]quinazolin-4-one Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C1O)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CNC(C1O)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3O3/c23-18-11-17-19(9-15(18)8-14-4-2-1-3-5-14)25-13-26(22(17)29)12-16(27)10-20-21(28)6-7-24-20/h1-5,9,11,13,20-21,24,28H,6-8,10,12H2