3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl]-6-chloranyl-quinazolin-4-one

Systemtic Name: 3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl]-6-chloranyl-quinazolin-4-one Openeye Name: 6-chloro-3-[2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]-6-chloro-4-quinazolinone IUPAC Name: 3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]-6-chloroquinazolin-4-one Traditional Name: 6-chloro-3-[2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl]quinazolin-4-one Formula: C20H19ClN2O2 MolecularWeight: 354.83006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2O2/c1-3-13(2)14-4-6-15(7-5-14)19(24)11-23-12-22-18-9-8-16(21)10-17(18)20(23)25/h4-10,12-13H,3,11H2,1-2H3/t13-/m0/s1