5-[3-[[3,5-dimethyl-4-(4-methylpiperazin-1-yl)carbonyl-1H-pyrrol-2-yl]methylidene]-2-oxidanylidene-1H-indol-4-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-[3-[[3,5-dimethyl-4-(4-methylpiperazin-1-yl)carbonyl-1H-pyrrol-2-yl]methylidene]-2-oxidanylidene-1H-indol-4-yl]pyridine-3-carboxylic acid Openeye Name: 5-[3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylene]-2-oxo-indolin-4-yl]pyridine-3-carboxylic acid CAS Name: 5-[3-[[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)-oxomethyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]-3-pyridinecarboxylic acid IUPAC Name: 5-[3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]pyridine-3-carboxylic acid Traditional Name: 5-[3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylene]-2-keto-indolin-4-yl]nicotinic acid Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)C=C3C4=C(C=CC=C4NC3=O)C5=CC(=CN=C5)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)C=C3C4=C(C=CC=C4NC3=O)C5=CC(=CN=C5)C(=O)O

InChI

InChI=1S/C27H27N5O4/c1-15-22(29-16(2)23(15)26(34)32-9-7-31(3)8-10-32)12-20-24-19(5-4-6-21(24)30-25(20)33)17-11-18(27(35)36)14-28-13-17/h4-6,11-14,29H,7-10H2,1-3H3,(H,30,33)(H,35,36)