2-[4-[(2S)-3-(7-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(2S)-3-(7-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[(2S)-3-(7-chloro-4-oxo-quinazolin-3-yl)-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[(2S)-3-(7-chloro-4-oxo-3-quinazolinyl)-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[(2S)-3-(7-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[(2S)-3-(7-chloro-4-keto-quinazolin-3-yl)-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C19H16ClN3O3 MolecularWeight: 369.80164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)OCC(CN2C=NC3=C(C2=O)C=CC(=C3)Cl)O

Isomeric SMILES

C1=CC(=CC=C1CC#N)OC[C@H](CN2C=NC3=C(C2=O)C=CC(=C3)Cl)O

InChI

InChI=1S/C19H16ClN3O3/c20-14-3-6-17-18(9-14)22-12-23(19(17)25)10-15(24)11-26-16-4-1-13(2-5-16)7-8-21/h1-6,9,12,15,24H,7,10-11H2/t15-/m0/s1