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

Systemtic Name: 4-cyclohexyl-8-(diethylamino)-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-cyclohexyl-8-(diethylamino)-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-cyclohexyl-8-(diethylamino)-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-cyclohexyl-8-(diethylamino)-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-cyclohexyl-8-(diethylamino)-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C23H34N2O4 MolecularWeight: 402.52706

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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)C3CCCCC3)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(N(C(=O)C(O2)C(C)C)C3CCCCC3)C(=O)O

InChI

InChI=1S/C23H34N2O4/c1-5-24(6-2)17-12-13-18-19(14-17)29-21(15(3)4)22(26)25(20(18)23(27)28)16-10-8-7-9-11-16/h12-16,20-21H,5-11H2,1-4H3,(H,27,28)