4-[(4-butoxyphenyl)methyl]-2-(2-diethylaminoethyl)phthalazin-1-one hydrochloride

Systemtic Name: 4-[(4-butoxyphenyl)methyl]-2-(2-diethylaminoethyl)phthalazin-1-one hydrochloride Openeye Name: 4-[(4-butoxyphenyl)methyl]-2-(2-diethylaminoethyl)phthalazin-1-one hydrochloride CAS Name: 4-[(4-butoxyphenyl)methyl]-2-(2-diethylaminoethyl)-1-phthalazinone hydrochloride IUPAC Name: 4-[(4-butoxyphenyl)methyl]-2-(2-diethylaminoethyl)phthalazin-1-one hydrochloride Traditional Name: 4-(4-butoxybenzyl)-2-(2-diethylaminoethyl)phthalazin-1-one hydrochloride Formula: C25H34ClN3O2 MolecularWeight: 444.00936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CCN(CC)CC.Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CCN(CC)CC.Cl

InChI

InChI=1S/C25H33N3O2.ClH/c1-4-7-18-30-21-14-12-20(13-15-21)19-24-22-10-8-9-11-23(22)25(29)28(26-24)17-16-27(5-2)6-3;/h8-15H,4-7,16-19H2,1-3H3;1H