ethyl 6-[[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]amino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]amino]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(4-ethylpiperazin-1-yl)-3-methyl-anilino]pyridine-3-carboxylate CAS Name: 6-[4-(4-ethyl-1-piperazinyl)-3-methylanilino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]pyridine-3-carboxylate Traditional Name: 6-[4-(4-ethylpiperazino)-3-methyl-anilino]nicotinic acid ethyl ester Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC=C(C=C3)C(=O)OCC)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC=C(C=C3)C(=O)OCC)C

InChI

InChI=1S/C21H28N4O2/c1-4-24-10-12-25(13-11-24)19-8-7-18(14-16(19)3)23-20-9-6-17(15-22-20)21(26)27-5-2/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,22,23)