2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-5-pyridin-2-yl-1,3,4-benzotriazepin-3-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-5-pyridin-2-yl-1,3,4-benzotriazepin-3-yl]ethanoic acid Openeye Name: 2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-5-(2-pyridyl)-1,3,4-benzotriazepin-3-yl]acetic acid CAS Name: 2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5-(2-pyridinyl)-1,3,4-benzotriazepin-3-yl]acetic acid IUPAC Name: 2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pyridin-2-yl-1,3,4-benzotriazepin-3-yl]acetic acid Traditional Name: 2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)-5-(2-pyridyl)-1,3,4-benzotriazepin-3-yl]acetic acid Formula: C21H21N5O4 MolecularWeight: 407.42254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2C3=CC=CC=C3C(=NN(C2=O)CC(=O)O)C4=CC=CC=N4

Isomeric SMILES

C1CCN(C1)C(=O)CN2C3=CC=CC=C3C(=NN(C2=O)CC(=O)O)C4=CC=CC=N4

InChI

InChI=1S/C21H21N5O4/c27-18(24-11-5-6-12-24)13-25-17-9-2-1-7-15(17)20(16-8-3-4-10-22-16)23-26(21(25)30)14-19(28)29/h1-4,7-10H,5-6,11-14H2,(H,28,29)