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

Systemtic Name: 8-(diethylamino)-4-[2-(1H-indol-3-yl)ethyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 8-(diethylamino)-4-[2-(1H-indol-3-yl)ethyl]-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 8-(diethylamino)-4-[2-(1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 8-(diethylamino)-4-[2-(1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 8-(diethylamino)-4-[2-(1H-indol-3-yl)ethyl]-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C27H33N3O4 MolecularWeight: 463.56862

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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=CC=CC=C43)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(N(C(=O)C(O2)C(C)C)CCC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C27H33N3O4/c1-5-29(6-2)19-11-12-21-23(15-19)34-25(17(3)4)26(31)30(24(21)27(32)33)14-13-18-16-28-22-10-8-7-9-20(18)22/h7-12,15-17,24-25,28H,5-6,13-14H2,1-4H3,(H,32,33)