7-chloranyl-4-[2-(1H-indol-3-yl)ethyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 7-chloranyl-4-[2-(1H-indol-3-yl)ethyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-chloro-4-[2-(1H-indol-3-yl)ethyl]-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-chloro-4-[2-(1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-chloro-4-[2-(1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-chloro-4-[2-(1H-indol-3-yl)ethyl]-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C23H23ClN2O4 MolecularWeight: 426.89272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H23ClN2O4/c1-13(2)21-22(27)26(10-9-14-12-25-18-6-4-3-5-16(14)18)20(23(28)29)17-11-15(24)7-8-19(17)30-21/h3-8,11-13,20-21,25H,9-10H2,1-2H3,(H,28,29)