(2S,4S)-4-chloranyl-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-yl)-4-phenyl-butanenitrile

Systemtic Name: (2S,4S)-4-chloranyl-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-yl)-4-phenyl-butanenitrile Openeye Name: (2S,4S)-4-chloro-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)-4-phenyl-butanenitrile CAS Name: (2S,4S)-4-chloro-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)-4-phenylbutanenitrile IUPAC Name: (2S,4S)-4-chloro-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)-4-phenylbutanenitrile Traditional Name: (2S,4S)-4-chloro-3-keto-2-(4-keto-1H-quinazolin-2-yl)-4-phenyl-butyronitrile Formula: C18H12ClN3O2 MolecularWeight: 337.75978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C(C#N)C2=NC(=O)C3=CC=CC=C3N2)Cl

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)[C@@H](C#N)C2=NC(=O)C3=CC=CC=C3N2)Cl

InChI

InChI=1S/C18H12ClN3O2/c19-15(11-6-2-1-3-7-11)16(23)13(10-20)17-21-14-9-5-4-8-12(14)18(24)22-17/h1-9,13,15H,(H,21,22,24)/t13-,15+/m1/s1