methyl 6-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[3-(4-phenyl-1-piperazinyl)-1-piperidinyl]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[3-(4-phenylpiperazino)piperidine-1-carbonyl]nicotinic acid methyl ester Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4O3/c1-30-23(29)18-9-10-21(24-16-18)22(28)27-11-5-8-20(17-27)26-14-12-25(13-15-26)19-6-3-2-4-7-19/h2-4,6-7,9-10,16,20H,5,8,11-15,17H2,1H3