2-[2-[(2-oxidanylidene-4-phenyl-1,4-dihydroquinazolin-3-yl)methyl]pyrrolidin-1-yl]ethanenitrile

Systemtic Name: 2-[2-[(2-oxidanylidene-4-phenyl-1,4-dihydroquinazolin-3-yl)methyl]pyrrolidin-1-yl]ethanenitrile Openeye Name: 2-[2-[(2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)methyl]pyrrolidin-1-yl]acetonitrile CAS Name: 2-[2-[(2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)methyl]-1-pyrrolidinyl]acetonitrile IUPAC Name: 2-[2-[(2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)methyl]pyrrolidin-1-yl]acetonitrile Traditional Name: 2-[2-[(2-keto-4-phenyl-1,4-dihydroquinazolin-3-yl)methyl]pyrrolidino]acetonitrile Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC#N)CN2C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)CC#N)CN2C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O/c22-12-14-24-13-6-9-17(24)15-25-20(16-7-2-1-3-8-16)18-10-4-5-11-19(18)23-21(25)26/h1-5,7-8,10-11,17,20H,6,9,13-15H2,(H,23,26)