4-[(2S)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-3-(6-chloro-4-oxo-quinazolin-3-yl)-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2S)-3-(6-chloro-4-oxo-3-quinazolinyl)-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[(2S)-3-(6-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2S)-3-(6-chloro-4-keto-quinazolin-3-yl)-2-hydroxy-propoxy]benzonitrile Formula: C18H14ClN3O3 MolecularWeight: 355.77506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCC(CN2C=NC3=C(C2=O)C=C(C=C3)Cl)O

Isomeric SMILES

C1=CC(=CC=C1C#N)OC[C@H](CN2C=NC3=C(C2=O)C=C(C=C3)Cl)O

InChI

InChI=1S/C18H14ClN3O3/c19-13-3-6-17-16(7-13)18(24)22(11-21-17)9-14(23)10-25-15-4-1-12(8-20)2-5-15/h1-7,11,14,23H,9-10H2/t14-/m0/s1