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

Systemtic Name: 2-[3-cyclohexyl-7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-cyclohexyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-cyclohexyl-7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-cyclohexyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-cyclohexyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)N=C2SCC#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)N=C2SCC#N

InChI

InChI=1S/C26H26N4O2S/c27-13-15-33-26-28-23-16-19(24(31)29-14-12-18-6-4-5-7-20(18)17-29)10-11-22(23)25(32)30(26)21-8-2-1-3-9-21/h4-7,10-11,16,21H,1-3,8-9,12,14-15,17H2