1-methyl-7-[2-(4-methyl-1,4-diazepan-1-yl)pyridin-4-yl]oxy-indole-2-carboxylic acid

Systemtic Name: 1-methyl-7-[2-(4-methyl-1,4-diazepan-1-yl)pyridin-4-yl]oxy-indole-2-carboxylic acid Openeye Name: 1-methyl-7-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridyl]oxy]indole-2-carboxylic acid CAS Name: 1-methyl-7-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]oxy]-2-indolecarboxylic acid IUPAC Name: 1-methyl-7-[2-(4-methyl-1,4-diazepan-1-yl)pyridin-4-yl]oxyindole-2-carboxylic acid Traditional Name: 1-methyl-7-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridyl]oxy]indole-2-carboxylic acid Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=NC=CC(=C2)OC3=CC=CC4=C3N(C(=C4)C(=O)O)C

Isomeric SMILES

CN1CCCN(CC1)C2=NC=CC(=C2)OC3=CC=CC4=C3N(C(=C4)C(=O)O)C

InChI

InChI=1S/C21H24N4O3/c1-23-9-4-10-25(12-11-23)19-14-16(7-8-22-19)28-18-6-3-5-15-13-17(21(26)27)24(2)20(15)18/h3,5-8,13-14H,4,9-12H2,1-2H3,(H,26,27)