3-azanyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 4-methylbenzenesulfonic acid

Systemtic Name: 3-azanyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 4-methylbenzenesulfonic acid Openeye Name: 3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 4-methylbenzenesulfonic acid CAS Name: 3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 4-methylbenzenesulfonic acid IUPAC Name: 3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 4-methylbenzenesulfonic acid Traditional Name: 3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; tosylic acid Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN1C2=CC=CC=C2C(=NC(C1=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN1C2=CC=CC=C2C(=NC(C1=O)N)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O.C7H8O3S/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-10,15H,17H2,1H3;2-5H,1H3,(H,8,9,10)