N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(4-methyl-3-morpholinosulfonyl-phenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C25H28N4O5S/c1-17-6-8-19(16-22(17)35(32,33)28-11-13-34-14-12-28)26-24(30)18-7-9-20-21(15-18)27-23-5-3-2-4-10-29(23)25(20)31/h6-9,15-16H,2-5,10-14H2,1H3,(H,26,30)