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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(8-methyl-4-oxo-quinazolin-3-yl)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-(8-methyl-4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-keto-8-methyl-quinazolin-3-yl)propionamide Formula: C24H28N4O4S MolecularWeight: 468.56852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S/c1-18-7-6-8-21-23(18)25-17-27(24(21)30)16-13-22(29)26-19-9-11-20(12-10-19)33(31,32)28-14-4-2-3-5-15-28/h6-12,17H,2-5,13-16H2,1H3,(H,26,29)