benzotriazol-1-yl 2-(azepan-1-ylcarbonylamino)-4-methyl-pentanoate

Systemtic Name: benzotriazol-1-yl 2-(azepan-1-ylcarbonylamino)-4-methyl-pentanoate Openeye Name: benzotriazol-1-yl 2-(azepane-1-carbonylamino)-4-methyl-pentanoate CAS Name: 2-[[1-azepanyl(oxo)methyl]amino]-4-methylpentanoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 2-(azepane-1-carbonylamino)-4-methylpentanoate Traditional Name: 2-(azepane-1-carbonylamino)-4-methyl-valeric acid benzotriazol-1-yl ester Formula: C19H27N5O3 MolecularWeight: 373.44938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)ON1C2=CC=CC=C2N=N1)NC(=O)N3CCCCCC3

Isomeric SMILES

CC(C)CC(C(=O)ON1C2=CC=CC=C2N=N1)NC(=O)N3CCCCCC3

InChI

InChI=1S/C19H27N5O3/c1-14(2)13-16(20-19(26)23-11-7-3-4-8-12-23)18(25)27-24-17-10-6-5-9-15(17)21-22-24/h5-6,9-10,14,16H,3-4,7-8,11-13H2,1-2H3,(H,20,26)