N-[2-[4-[[2-butyl-7-(4-cyclopropylcarbonylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]methyl]phenyl]phenyl]sulfonylpentanamide

Systemtic Name: N-[2-[4-[[2-butyl-7-(4-cyclopropylcarbonylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]methyl]phenyl]phenyl]sulfonylpentanamide Openeye Name: N-[2-[4-[[2-butyl-7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-oxo-quinazolin-3-yl]methyl]phenyl]phenyl]sulfonylpentanamide CAS Name: N-[2-[4-[[2-butyl-7-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-4-oxo-3-quinazolinyl]methyl]phenyl]phenyl]sulfonylpentanamide IUPAC Name: N-[2-[4-[[2-butyl-7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]methyl]phenyl]phenyl]sulfonylpentanamide Traditional Name: N-[2-[4-[[2-butyl-7-[4-(cyclopropanecarbonyl)piperazino]-4-keto-quinazolin-3-yl]methyl]phenyl]phenyl]sulfonylvaleramide Formula: C38H45N5O5S MolecularWeight: 683.8594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H45N5O5S/c1-3-5-11-35-39-33-25-30(41-21-23-42(24-22-41)37(45)29-17-18-29)19-20-32(33)38(46)43(35)26-27-13-15-28(16-14-27)31-9-7-8-10-34(31)49(47,48)40-36(44)12-6-4-2/h7-10,13-16,19-20,25,29H,3-6,11-12,17-18,21-24,26H2,1-2H3,(H,40,44)