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

Systemtic Name: 4-[(4-butoxyphenyl)methyl]-2-(2-diethylaminoethyl)phthalazin-1-one Openeye Name: 4-[(4-butoxyphenyl)methyl]-2-(2-diethylaminoethyl)phthalazin-1-one CAS Name: 4-[(4-butoxyphenyl)methyl]-2-(2-diethylaminoethyl)-1-phthalazinone IUPAC Name: 4-[(4-butoxyphenyl)methyl]-2-(2-diethylaminoethyl)phthalazin-1-one Traditional Name: 4-(4-butoxybenzyl)-2-(2-diethylaminoethyl)phthalazin-1-one Formula: C25H33N3O2 MolecularWeight: 407.54842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O2/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