3-azanyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid

Systemtic Name: 3-azanyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid Openeye Name: 3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonic acid CAS Name: 3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid IUPAC Name: 3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid Traditional Name: 3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonic acid Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C.CN1C2=CC=CC=C2C(=NC(C1=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C.CN1C2=CC=CC=C2C(=NC(C1=O)N)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O.C10H16O4S/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-10,15H,17H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)