methyl 3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: methyl 3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C10H15N5O2 MolecularWeight: 237.2584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NN1)NC2=NCCCCC2

Isomeric SMILES

COC(=O)C1=NC(=NN1)NC2=NCCCCC2

InChI

InChI=1S/C10H15N5O2/c1-17-9(16)8-13-10(15-14-8)12-7-5-3-2-4-6-11-7/h2-6H2,1H3,(H2,11,12,13,14,15)