7-chloranyl-3-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-2-oxidanyl-propyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-2-oxidanyl-propyl]quinazolin-4-one Openeye Name: 7-chloro-3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one CAS Name: 7-chloro-3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-4-quinazolinone IUPAC Name: 7-chloro-3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one Traditional Name: 7-chloro-3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCC(CN2C=NC3=C(C2=O)C=CC(=C3)Cl)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4/c1-3-4-14-5-8-19(20(9-14)27-2)28-12-16(25)11-24-13-23-18-10-15(22)6-7-17(18)21(24)26/h3-10,13,16,25H,11-12H2,1-2H3/b4-3+