ethyl 5-chloranyl-6-[4-[[(1S)-1-phenylethyl]carbamoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6-[4-[[(1S)-1-phenylethyl]carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-[[(1S)-1-phenylethyl]carbamoyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[oxo-[[(1S)-1-phenylethyl]amino]methyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-[[(1S)-1-phenylethyl]carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-[[(1S)-1-phenylethyl]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)NC(C)C3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)N[C@@H](C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H25ClN4O3/c1-3-29-20(27)17-13-18(22)19(23-14-17)25-9-11-26(12-10-25)21(28)24-15(2)16-7-5-4-6-8-16/h4-8,13-15H,3,9-12H2,1-2H3,(H,24,28)/t15-/m0/s1