2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C19H23N5O4S/c1-13-18(14(2)28-22-13)29(26,27)24-9-5-8-23(10-11-24)12-17-20-16-7-4-3-6-15(16)19(25)21-17/h3-4,6-7H,5,8-12H2,1-2H3,(H,20,21,25)