ethyl 6-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(4-isopropylbenzoyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-(4-cumoylpiperazino)nicotinic acid ethyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H27N3O3/c1-4-28-22(27)19-9-10-20(23-15-19)24-11-13-25(14-12-24)21(26)18-7-5-17(6-8-18)16(2)3/h5-10,15-16H,4,11-14H2,1-3H3