ethyl 5-chloranyl-6-[4-[(2-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6-[4-[(2-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-[(2-isopropylphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[oxo-(2-propan-2-ylanilino)methyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-[(2-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-(o-cumenylcarbamoyl)piperazino]nicotinic acid ethyl ester Formula: C22H27ClN4O3 MolecularWeight: 430.92778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=CC=CC=C3C(C)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=CC=CC=C3C(C)C)Cl

InChI

InChI=1S/C22H27ClN4O3/c1-4-30-21(28)16-13-18(23)20(24-14-16)26-9-11-27(12-10-26)22(29)25-19-8-6-5-7-17(19)15(2)3/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,29)