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

Systemtic Name: 2-[4-[(2S)-3-[(2S)-butan-2-yl]-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(2S)-3-[(1S)-1-methylpropyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile CAS Name: 2-[4-[(2S)-3-[(2S)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(2S)-3-[(2S)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Traditional Name: 2-[4-[(2S)-4-keto-3-[(1S)-1-methylpropyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)OCC#N

Isomeric SMILES

CC[C@H](C)N1[C@H](NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)OCC#N

InChI

InChI=1S/C20H21N3O2/c1-3-14(2)23-19(15-8-10-16(11-9-15)25-13-12-21)22-18-7-5-4-6-17(18)20(23)24/h4-11,14,19,22H,3,13H2,1-2H3/t14-,19-/m0/s1