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

Systemtic Name: 2-[4-[(2S)-4-oxidanylidene-3-phenyl-1,2-dihydroquinazolin-2-yl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile CAS Name: 2-[4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Traditional Name: 2-[4-[(2S)-4-keto-3-phenyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Formula: C22H17N3O2 MolecularWeight: 355.38928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2[C@H](NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OCC#N

InChI

InChI=1S/C22H17N3O2/c23-14-15-27-18-12-10-16(11-13-18)21-24-20-9-5-4-8-19(20)22(26)25(21)17-6-2-1-3-7-17/h1-13,21,24H,15H2/t21-/m0/s1