2-[1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepin-4-yl]ethanoic acid

Systemtic Name: 2-[1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepin-4-yl]ethanoic acid Openeye Name: 2-[1-(2-chloro-4-pyrrolidin-1-yl-benzoyl)-3-oxo-2,5-dihydro-1,4-benzodiazepin-4-yl]acetic acid CAS Name: 2-[1-[[2-chloro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-3-oxo-2,5-dihydro-1,4-benzodiazepin-4-yl]acetic acid IUPAC Name: 2-[1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-3-oxo-2,5-dihydro-1,4-benzodiazepin-4-yl]acetic acid Traditional Name: 2-[1-(2-chloro-4-pyrrolidino-benzoyl)-3-keto-2,5-dihydro-1,4-benzodiazepin-4-yl]acetic acid Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)C(=O)N3CC(=O)N(CC4=CC=CC=C43)CC(=O)O)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)C(=O)N3CC(=O)N(CC4=CC=CC=C43)CC(=O)O)Cl

InChI

InChI=1S/C22H22ClN3O4/c23-18-11-16(24-9-3-4-10-24)7-8-17(18)22(30)26-13-20(27)25(14-21(28)29)12-15-5-1-2-6-19(15)26/h1-2,5-8,11H,3-4,9-10,12-14H2,(H,28,29)