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

Systemtic Name: N-(3-morpholin-4-ylsulfonylphenyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(3-morpholinosulfonylphenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-[3-(4-morpholinylsulfonyl)phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(3-morpholin-4-ylsulfonylphenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(3-morpholinosulfonylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5)C(=O)N2CC1

InChI

InChI=1S/C24H26N4O5S/c29-23(25-18-5-4-6-19(16-18)34(31,32)27-11-13-33-14-12-27)17-8-9-20-21(15-17)26-22-7-2-1-3-10-28(22)24(20)30/h4-6,8-9,15-16H,1-3,7,10-14H2,(H,25,29)