3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]carbonyl]-7-methoxy-1H-quinolin-4-one

Systemtic Name: 3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]carbonyl]-7-methoxy-1H-quinolin-4-one Openeye Name: 3-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepane-1-carbonyl]-7-methoxy-1H-quinolin-4-one CAS Name: 3-[[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]-oxomethyl]-7-methoxy-1H-quinolin-4-one IUPAC Name: 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane-1-carbonyl]-7-methoxy-1H-quinolin-4-one Traditional Name: 3-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepane-1-carbonyl]-7-methoxy-4-quinolone Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CNC4=C(C3=O)C=CC(=C4)OC

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CNC4=C(C3=O)C=CC(=C4)OC

InChI

InChI=1S/C21H24N4O6S/c1-13-20(14(2)31-23-13)32(28,29)25-8-4-7-24(9-10-25)21(27)17-12-22-18-11-15(30-3)5-6-16(18)19(17)26/h5-6,11-12H,4,7-10H2,1-3H3,(H,22,26)