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

Systemtic Name: 2-[5-cyclohexyl-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,3,4-benzotriazepin-3-yl]ethanoic acid Openeye Name: 2-[5-cyclohexyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,3,4-benzotriazepin-3-yl]acetic acid CAS Name: 2-[5-cyclohexyl-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3,4-benzotriazepin-3-yl]acetic acid IUPAC Name: 2-[5-cyclohexyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-benzotriazepin-3-yl]acetic acid Traditional Name: 2-[5-cyclohexyl-2-keto-1-(2-keto-2-pyrrolidino-ethyl)-1,3,4-benzotriazepin-3-yl]acetic acid Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CC(=O)N4CCCC4)CC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CC(=O)N4CCCC4)CC(=O)O

InChI

InChI=1S/C22H28N4O4/c27-19(24-12-6-7-13-24)14-25-18-11-5-4-10-17(18)21(16-8-2-1-3-9-16)23-26(22(25)30)15-20(28)29/h4-5,10-11,16H,1-3,6-9,12-15H2,(H,28,29)