ethyl 5-chloranyl-6-[4-[(2-methylphenyl)methylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6-[4-[(2-methylphenyl)methylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-(o-tolylmethylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[[(2-methylphenyl)methylamino]-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-[(2-methylphenyl)methylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-[(2-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=C3C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NCC3=CC=CC=C3C)Cl

InChI

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