2-[2,5-dimethyl-3-(4-oxidanylidene-2,3-dihydro-1H-quinazolin-2-yl)pyrrol-1-yl]ethanenitrile

Systemtic Name: 2-[2,5-dimethyl-3-(4-oxidanylidene-2,3-dihydro-1H-quinazolin-2-yl)pyrrol-1-yl]ethanenitrile Openeye Name: 2-[2,5-dimethyl-3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)pyrrol-1-yl]acetonitrile CAS Name: 2-[2,5-dimethyl-3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)-1-pyrrolyl]acetonitrile IUPAC Name: 2-[2,5-dimethyl-3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)pyrrol-1-yl]acetonitrile Traditional Name: 2-[3-(4-keto-2,3-dihydro-1H-quinazolin-2-yl)-2,5-dimethyl-pyrrol-1-yl]acetonitrile Formula: C16H16N4O MolecularWeight: 280.32444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC#N)C)C2NC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC1=CC(=C(N1CC#N)C)C2NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C16H16N4O/c1-10-9-13(11(2)20(10)8-7-17)15-18-14-6-4-3-5-12(14)16(21)19-15/h3-6,9,15,18H,8H2,1-2H3,(H,19,21)