phenanthridin-6-ylmethyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate

Systemtic Name: phenanthridin-6-ylmethyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Openeye Name: phenanthridin-6-ylmethyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(3,5-dimethylpyrazol-1-yl)nicotinic acid phenanthridin-6-ylmethyl ester Formula: C25H20N4O2 MolecularWeight: 408.4519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C5=CC=CC=C53)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C5=CC=CC=C53)C

InChI

InChI=1S/C25H20N4O2/c1-16-13-17(2)29(28-16)24-12-11-18(14-26-24)25(30)31-15-23-21-9-4-3-7-19(21)20-8-5-6-10-22(20)27-23/h3-14H,15H2,1-2H3