ethyl 5-chloranyl-6-[4-[(2-methoxy-5-methyl-phenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6-[4-[(2-methoxy-5-methyl-phenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-[(2-methoxy-5-methyl-phenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[(2-methoxy-5-methylanilino)-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-[(2-methoxy-5-methylphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-[(2-methoxy-5-methyl-phenyl)carbamoyl]piperazino]nicotinic acid ethyl ester Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=C(C=CC(=C3)C)OC)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=C(C=CC(=C3)C)OC)Cl

InChI

InChI=1S/C21H25ClN4O4/c1-4-30-20(27)15-12-16(22)19(23-13-15)25-7-9-26(10-8-25)21(28)24-17-11-14(2)5-6-18(17)29-3/h5-6,11-13H,4,7-10H2,1-3H3,(H,24,28)