6-chloranyl-3-[2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]quinazolin-4-one

Systemtic Name: 6-chloranyl-3-[2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]quinazolin-4-one Openeye Name: 6-chloro-3-[2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]quinazolin-4-one CAS Name: 6-chloro-3-[2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-4-quinazolinone IUPAC Name: 6-chloro-3-[2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]quinazolin-4-one Traditional Name: 6-chloro-3-[2-hydroxy-3-[4-(3-ketobutyl)phenoxy]propyl]quinazolin-4-one Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC(CN2C=NC3=C(C2=O)C=C(C=C3)Cl)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCC(CN2C=NC3=C(C2=O)C=C(C=C3)Cl)O

InChI

InChI=1S/C21H21ClN2O4/c1-14(25)2-3-15-4-7-18(8-5-15)28-12-17(26)11-24-13-23-20-9-6-16(22)10-19(20)21(24)27/h4-10,13,17,26H,2-3,11-12H2,1H3