2-[5-[2-(1H-imidazo[4,5-b]pyridin-2-ylmethylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid

Systemtic Name: 2-[5-[2-(1H-imidazo[4,5-b]pyridin-2-ylmethylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid Openeye Name: 2-[5-[2-(1H-imidazo[4,5-b]pyridin-2-ylmethylamino)-2-oxo-ethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid CAS Name: 2-[5-[2-(1H-imidazo[4,5-b]pyridin-2-ylmethylamino)-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid IUPAC Name: 2-[5-[2-(1H-imidazo[4,5-b]pyridin-2-ylmethylamino)-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid Traditional Name: 2-[5-[2-(1H-imidazo[4,5-b]pyridin-2-ylmethylamino)-2-keto-ethyl]-6-keto-11H-benzo[c][1]benzazepin-11-yl]acetic acid Formula: C25H21N5O4 MolecularWeight: 455.46534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3N(C2=O)CC(=O)NCC4=NC5=C(N4)C=CC=N5)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3N(C2=O)CC(=O)NCC4=NC5=C(N4)C=CC=N5)CC(=O)O

InChI

InChI=1S/C25H21N5O4/c31-22(27-13-21-28-19-9-5-11-26-24(19)29-21)14-30-20-10-4-3-7-16(20)18(12-23(32)33)15-6-1-2-8-17(15)25(30)34/h1-11,18H,12-14H2,(H,27,31)(H,32,33)(H,26,28,29)