methyl 2-[4-(3-chloranyl-5-pyrrolidin-1-ylcarbonyl-pyridin-2-yl)piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: methyl 2-[4-(3-chloranyl-5-pyrrolidin-1-ylcarbonyl-pyridin-2-yl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: methyl 2-[4-[3-chloro-5-(pyrrolidine-1-carbonyl)-2-pyridyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 2-[4-[3-chloro-5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]-1-piperazinyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-[3-chloro-5-(pyrrolidine-1-carbonyl)pyridin-2-yl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 2-[4-[3-chloro-5-(pyrrolidine-1-carbonyl)-2-pyridyl]piperazino]nicotinic acid methyl ester Formula: C21H24ClN5O3 MolecularWeight: 429.89996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=CC=C1)N2CCN(CC2)C3=C(C=C(C=N3)C(=O)N4CCCC4)Cl

Isomeric SMILES

COC(=O)C1=C(N=CC=C1)N2CCN(CC2)C3=C(C=C(C=N3)C(=O)N4CCCC4)Cl

InChI

InChI=1S/C21H24ClN5O3/c1-30-21(29)16-5-4-6-23-18(16)25-9-11-26(12-10-25)19-17(22)13-15(14-24-19)20(28)27-7-2-3-8-27/h4-6,13-14H,2-3,7-12H2,1H3