N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(8-methyl-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(8-methyl-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(8-methyl-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(8-methyl-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-keto-8-methyl-quinazolin-3-yl)acetamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N4O4S/c1-17-8-6-11-20-22(17)24-16-26(23(20)29)15-21(28)25-18-9-7-10-19(14-18)32(30,31)27-12-4-2-3-5-13-27/h6-11,14,16H,2-5,12-13,15H2,1H3,(H,25,28)