N-[2-[4-[[2-butyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide

Systemtic Name: N-[2-[4-[[2-butyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide Openeye Name: N-[2-[4-[[2-butyl-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-oxo-quinazolin-3-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide CAS Name: N-[2-[4-[[2-butyl-6-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-4-oxo-3-quinazolinyl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide IUPAC Name: N-[2-[4-[[2-butyl-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide Traditional Name: N-[2-[4-[[2-butyl-6-[4-(cyclopropanecarbonyl)piperazino]-4-keto-quinazolin-3-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide Formula: C37H41N5O5S MolecularWeight: 667.81694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)N3CCN(CC3)C(=O)C4CC4)C(=O)N1CC5=CC=C(C=C5)C6=CC=CC=C6S(=O)(=O)NC(=O)C7CC7

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)N3CCN(CC3)C(=O)C4CC4)C(=O)N1CC5=CC=C(C=C5)C6=CC=CC=C6S(=O)(=O)NC(=O)C7CC7

InChI

InChI=1S/C37H41N5O5S/c1-2-3-8-34-38-32-18-17-29(40-19-21-41(22-20-40)36(44)28-15-16-28)23-31(32)37(45)42(34)24-25-9-11-26(12-10-25)30-6-4-5-7-33(30)48(46,47)39-35(43)27-13-14-27/h4-7,9-12,17-18,23,27-28H,2-3,8,13-16,19-22,24H2,1H3,(H,39,43)