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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(8-methyl-4-oxo-quinazolin-3-yl)butanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-(8-methyl-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(4-keto-8-methyl-quinazolin-3-yl)butyramide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4S/c1-19-8-6-9-22-24(19)26-18-28(25(22)31)15-7-10-23(30)27-20-11-13-21(14-12-20)34(32,33)29-16-4-2-3-5-17-29/h6,8-9,11-14,18H,2-5,7,10,15-17H2,1H3,(H,27,30)