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

Systemtic Name: 2-[4-[(2S)-3-(furan-2-ylmethyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(2S)-3-(2-furylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile CAS Name: 2-[4-[(2S)-3-(2-furanylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Traditional Name: 2-[4-[(2S)-3-(2-furfuryl)-4-keto-1,2-dihydroquinazolin-2-yl]phenoxy]acetonitrile Formula: C21H17N3O3 MolecularWeight: 359.37798

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)CC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N([C@H](N2)C3=CC=C(C=C3)OCC#N)CC4=CC=CO4

InChI

InChI=1S/C21H17N3O3/c22-11-13-27-16-9-7-15(8-10-16)20-23-19-6-2-1-5-18(19)21(25)24(20)14-17-4-3-12-26-17/h1-10,12,20,23H,13-14H2/t20-/m0/s1