2-[7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-oxidanylidene-3-pentyl-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-oxidanylidene-3-pentyl-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-3-pentyl-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-oxo-3-pentyl-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-3-pentylquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-amyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)N=C1SCC#N

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)N=C1SCC#N

InChI

InChI=1S/C25H26N4O2S/c1-2-3-6-13-29-24(31)21-10-9-19(16-22(21)27-25(29)32-15-12-26)23(30)28-14-11-18-7-4-5-8-20(18)17-28/h4-5,7-10,16H,2-3,6,11,13-15,17H2,1H3