7-bromanyl-3-oxidanylidene-4-[1-(phenylmethyl)piperidin-4-yl]-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 7-bromanyl-3-oxidanylidene-4-[1-(phenylmethyl)piperidin-4-yl]-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-(1-benzyl-4-piperidyl)-7-bromo-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-3-oxo-4-[1-(phenylmethyl)-4-piperidinyl]-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-(1-benzylpiperidin-4-yl)-7-bromo-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-(1-benzyl-4-piperidyl)-7-bromo-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C25H29BrN2O4 MolecularWeight: 501.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)C3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)C3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29BrN2O4/c1-16(2)23-24(29)28(22(25(30)31)20-14-18(26)8-9-21(20)32-23)19-10-12-27(13-11-19)15-17-6-4-3-5-7-17/h3-9,14,16,19,22-23H,10-13,15H2,1-2H3,(H,30,31)