methyl 2-(4-chlorophenyl)-2-[4-(6-methylpyridin-3-yl)carbonylpiperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(4-chlorophenyl)-2-[4-(6-methylpyridin-3-yl)carbonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-(4-chlorophenyl)-2-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-[(6-methyl-3-pyridinyl)-oxomethyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-2-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-(6-methylnicotinoyl)piperazino]acetic acid methyl ester Formula: C20H22ClN3O3 MolecularWeight: 387.85998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C20H22ClN3O3/c1-14-3-4-16(13-22-14)19(25)24-11-9-23(10-12-24)18(20(26)27-2)15-5-7-17(21)8-6-15/h3-8,13,18H,9-12H2,1-2H3