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

Systemtic Name: 2-[4-[(2S)-4-oxidanylidene-3-phenethyl-1,2-dihydroquinazolin-2-yl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(2S)-4-oxo-3-phenethyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile CAS Name: 2-[4-[(2S)-4-oxo-3-phenethyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(2S)-4-oxo-3-phenethyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Traditional Name: 2-[4-[(2S)-4-keto-3-phenethyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Formula: C24H21N3O2 MolecularWeight: 383.44244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCN2[C@H](NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OCC#N

InChI

InChI=1S/C24H21N3O2/c25-15-17-29-20-12-10-19(11-13-20)23-26-22-9-5-4-8-21(22)24(28)27(23)16-14-18-6-2-1-3-7-18/h1-13,23,26H,14,16-17H2/t23-/m0/s1