methyl 2-(2-chlorophenyl)-2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(2-chlorophenyl)-2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethanoate Openeye Name: methyl 2-(2-chlorophenyl)-2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]acetate CAS Name: 2-(2-chlorophenyl)-2-[4-(4-methyl-1-phthalazinyl)-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-chlorophenyl)-2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]acetate Traditional Name: 2-(2-chlorophenyl)-2-[4-(4-methylphthalazin-1-yl)piperazino]acetic acid methyl ester Formula: C22H23ClN4O2 MolecularWeight: 410.89662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)N3CCN(CC3)C(C4=CC=CC=C4Cl)C(=O)OC

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)N3CCN(CC3)C(C4=CC=CC=C4Cl)C(=O)OC

InChI

InChI=1S/C22H23ClN4O2/c1-15-16-7-3-4-8-17(16)21(25-24-15)27-13-11-26(12-14-27)20(22(28)29-2)18-9-5-6-10-19(18)23/h3-10,20H,11-14H2,1-2H3