2-[4-[(2S)-3-(4-chlorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(2S)-3-(4-chlorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(2S)-3-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile CAS Name: 2-[4-[(2S)-3-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(2S)-3-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Traditional Name: 2-[4-[(2S)-3-(4-chlorophenyl)-4-keto-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Formula: C22H16ClN3O2 MolecularWeight: 389.83434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=C(C=C3)OCC#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N([C@H](N2)C3=CC=C(C=C3)OCC#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16ClN3O2/c23-16-7-9-17(10-8-16)26-21(15-5-11-18(12-6-15)28-14-13-24)25-20-4-2-1-3-19(20)22(26)27/h1-12,21,25H,14H2/t21-/m0/s1