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

Systemtic Name: 8-(diethylamino)-4-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 8-(diethylamino)-2-isopropyl-4-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 8-(diethylamino)-4-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 8-(diethylamino)-4-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 8-(diethylamino)-2-isopropyl-3-keto-4-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C28H35N3O5 MolecularWeight: 493.5946

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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)CCC3=CNC4=C3C=C(C=C4)OC)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(N(C(=O)C(O2)C(C)C)CCC3=CNC4=C3C=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C28H35N3O5/c1-6-30(7-2)19-8-10-21-24(14-19)36-26(17(3)4)27(32)31(25(21)28(33)34)13-12-18-16-29-23-11-9-20(35-5)15-22(18)23/h8-11,14-17,25-26,29H,6-7,12-13H2,1-5H3,(H,33,34)