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

Systemtic Name: 2-[4-[(2S)-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(2S)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile CAS Name: 2-[4-[(2S)-4-oxo-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(2S)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Traditional Name: 2-[4-[(2S)-3-benzyl-4-keto-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Formula: C23H19N3O2 MolecularWeight: 369.41586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2[C@H](NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OCC#N

InChI

InChI=1S/C23H19N3O2/c24-14-15-28-19-12-10-18(11-13-19)22-25-21-9-5-4-8-20(21)23(27)26(22)16-17-6-2-1-3-7-17/h1-13,22,25H,15-16H2/t22-/m0/s1