N-[bis(azanyl)methylidene]-2,3-dihydro-1H-1-benzazepine-4-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-2,3-dihydro-1H-1-benzazepine-4-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-2,3-dihydro-1H-1-benzazepine-4-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-2,3-dihydro-1H-1-benzazepine-4-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-2,3-dihydro-1H-1-benzazepine-4-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-2,3-dihydro-1H-1-benzazepine-4-carboxamide; mesylic acid Formula: C14H22N4O7S2 MolecularWeight: 422.47708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1CNC2=CC=CC=C2C=C1C(=O)N=C(N)N

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CNC2=CC=CC=C2C=C1C(=O)N=C(N)N

InChI

InChI=1S/C12H14N4O.2CH4O3S/c13-12(14)16-11(17)9-5-6-15-10-4-2-1-3-8(10)7-9;2*1-5(2,3)4/h1-4,7,15H,5-6H2,(H4,13,14,16,17);2*1H3,(H,2,3,4)