ethyl 5-chloranyl-6-[4-[[(1R,2R)-2-phenylcyclopropyl]carbamoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6-[4-[[(1R,2R)-2-phenylcyclopropyl]carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-[[(1R,2R)-2-phenylcyclopropyl]carbamoyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[oxo-[[(1R,2R)-2-phenylcyclopropyl]amino]methyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-[[(1R,2R)-2-phenylcyclopropyl]carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-[[(1R,2R)-2-phenylcyclopropyl]carbamoyl]piperazino]nicotinic acid ethyl ester Formula: C22H25ClN4O3 MolecularWeight: 428.9119

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3CC3C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)N[C@@H]3C[C@@H]3C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H25ClN4O3/c1-2-30-21(28)16-12-18(23)20(24-14-16)26-8-10-27(11-9-26)22(29)25-19-13-17(19)15-6-4-3-5-7-15/h3-7,12,14,17,19H,2,8-11,13H2,1H3,(H,25,29)/t17-,19-/m1/s1