4-(2,5-dimethylphenyl)-2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-[[(4-ethoxybenzyl)-methyl-amino]methyl]phthalazin-1-one Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)CN2C(=O)C3=CC=CC=C3C(=N2)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)CN2C(=O)C3=CC=CC=C3C(=N2)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C27H29N3O2/c1-5-32-22-14-12-21(13-15-22)17-29(4)18-30-27(31)24-9-7-6-8-23(24)26(28-30)25-16-19(2)10-11-20(25)3/h6-16H,5,17-18H2,1-4H3