3-methyl-4-oxidanylidene-N-phenethyl-N-[(2-prop-2-enoxyphenyl)methyl]phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-phenethyl-N-[(2-prop-2-enoxyphenyl)methyl]phthalazine-1-carboxamide Openeye Name: N-[(2-allyloxyphenyl)methyl]-3-methyl-4-oxo-N-phenethyl-phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-phenethyl-N-[(2-prop-2-enoxyphenyl)methyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-phenethyl-N-[(2-prop-2-enoxyphenyl)methyl]phthalazine-1-carboxamide Traditional Name: N-(2-allyloxybenzyl)-4-keto-3-methyl-N-phenethyl-phthalazine-1-carboxamide Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4OCC=C

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4OCC=C

InChI

InChI=1S/C28H27N3O3/c1-3-19-34-25-16-10-7-13-22(25)20-31(18-17-21-11-5-4-6-12-21)28(33)26-23-14-8-9-15-24(23)27(32)30(2)29-26/h3-16H,1,17-20H2,2H3