[1-(5-chloranyl-3H-phthalazin-2-yl)piperidin-4-yl] 2-ethoxybenzoate hydrochloride

Systemtic Name: [1-(5-chloranyl-3H-phthalazin-2-yl)piperidin-4-yl] 2-ethoxybenzoate hydrochloride Openeye Name: [1-(5-chloro-3H-phthalazin-2-yl)-4-piperidyl] 2-ethoxybenzoate hydrochloride CAS Name: 2-ethoxybenzoic acid [1-(5-chloro-3H-phthalazin-2-yl)-4-piperidinyl] ester hydrochloride IUPAC Name: [1-(5-chloro-3H-phthalazin-2-yl)piperidin-4-yl] 2-ethoxybenzoate hydrochloride Traditional Name: 2-ethoxybenzoic acid [1-(5-chloro-3H-phthalazin-2-yl)-4-piperidyl] ester hydrochloride Formula: C22H25Cl2N3O3 MolecularWeight: 450.3582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OC2CCN(CC2)N3C=C4C=CC=C(C4=CN3)Cl.Cl

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OC2CCN(CC2)N3C=C4C=CC=C(C4=CN3)Cl.Cl

InChI

InChI=1S/C22H24ClN3O3.ClH/c1-2-28-21-9-4-3-7-18(21)22(27)29-17-10-12-25(13-11-17)26-15-16-6-5-8-20(23)19(16)14-24-26;/h3-9,14-15,17,24H,2,10-13H2,1H3;1H