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

Systemtic Name: 4-[(4-butoxyphenyl)methyl]-2-(2-dimethylaminoethyl)phthalazin-1-one hydrochloride Openeye Name: 4-[(4-butoxyphenyl)methyl]-2-(2-dimethylaminoethyl)phthalazin-1-one hydrochloride CAS Name: 4-[(4-butoxyphenyl)methyl]-2-(2-dimethylaminoethyl)-1-phthalazinone hydrochloride IUPAC Name: 4-[(4-butoxyphenyl)methyl]-2-(2-dimethylaminoethyl)phthalazin-1-one hydrochloride Traditional Name: 4-(4-butoxybenzyl)-2-(2-dimethylaminoethyl)phthalazin-1-one hydrochloride Formula: C23H30ClN3O2 MolecularWeight: 415.9562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2.ClH/c1-4-5-16-28-19-12-10-18(11-13-19)17-22-20-8-6-7-9-21(20)23(27)26(24-22)15-14-25(2)3;/h6-13H,4-5,14-17H2,1-3H3;1H