3,5-dimethyl-4-[[1-(phenylmethyl)-5H-1,4-benzodiazepin-4-yl]sulfonyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[[1-(phenylmethyl)-5H-1,4-benzodiazepin-4-yl]sulfonyl]-1,2-oxazole Openeye Name: 4-[(1-benzyl-5H-1,4-benzodiazepin-4-yl)sulfonyl]-3,5-dimethyl-isoxazole CAS Name: 3,5-dimethyl-4-[[1-(phenylmethyl)-5H-1,4-benzodiazepin-4-yl]sulfonyl]isoxazole IUPAC Name: 4-[(1-benzyl-5H-1,4-benzodiazepin-4-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[(1-benzyl-5H-1,4-benzodiazepin-4-yl)sulfonyl]-3,5-dimethyl-isoxazole Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC3=CC=CC=C3N(C=C2)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC3=CC=CC=C3N(C=C2)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S/c1-16-21(17(2)27-22-16)28(25,26)24-13-12-23(14-18-8-4-3-5-9-18)20-11-7-6-10-19(20)15-24/h3-13H,14-15H2,1-2H3