4-(1,3-benzodioxol-5-ylmethyl)-8-(diethylamino)-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-8-(diethylamino)-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-8-(diethylamino)-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-8-(diethylamino)-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-8-(diethylamino)-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 8-(diethylamino)-2-isopropyl-3-keto-4-piperonyl-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(N(C(=O)C(O2)C(C)C)CC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(N(C(=O)C(O2)C(C)C)CC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C25H30N2O6/c1-5-26(6-2)17-8-9-18-20(12-17)33-23(15(3)4)24(28)27(22(18)25(29)30)13-16-7-10-19-21(11-16)32-14-31-19/h7-12,15,22-23H,5-6,13-14H2,1-4H3,(H,29,30)