ethyl 5-chloranyl-6-[4-[(3-methylphenyl)methylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6-[4-[(3-methylphenyl)methylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-(m-tolylmethylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[[(3-methylphenyl)methylamino]-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-[(3-methylphenyl)methylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-[(3-methylbenzyl)carbamoyl]piperazino]nicotinic acid ethyl ester Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NCC3=CC=CC(=C3)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NCC3=CC=CC(=C3)C)Cl

InChI

InChI=1S/C21H25ClN4O3/c1-3-29-20(27)17-12-18(22)19(23-14-17)25-7-9-26(10-8-25)21(28)24-13-16-6-4-5-15(2)11-16/h4-6,11-12,14H,3,7-10,13H2,1-2H3,(H,24,28)