7-chloranyl-3-oxidanylidene-2-propan-2-yl-4-(pyridin-3-ylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 7-chloranyl-3-oxidanylidene-2-propan-2-yl-4-(pyridin-3-ylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-chloro-2-isopropyl-3-oxo-4-(3-pyridylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-chloro-3-oxo-2-propan-2-yl-4-(3-pyridinylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-chloro-3-oxo-2-propan-2-yl-4-(pyridin-3-ylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-chloro-2-isopropyl-3-keto-4-(3-pyridylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C19H19ClN2O4 MolecularWeight: 374.81816

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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)CC3=CN=CC=C3

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C19H19ClN2O4/c1-11(2)17-18(23)22(10-12-4-3-7-21-9-12)16(19(24)25)14-8-13(20)5-6-15(14)26-17/h3-9,11,16-17H,10H2,1-2H3,(H,24,25)