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

Systemtic Name: N-methyl-4-oxidanylidene-3-(phenylmethyl)-N-[(4-prop-2-enoxyphenyl)methyl]phthalazine-1-carboxamide Openeye Name: N-[(4-allyloxyphenyl)methyl]-3-benzyl-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-methyl-4-oxo-3-(phenylmethyl)-N-[(4-prop-2-enoxyphenyl)methyl]-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-methyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]phthalazine-1-carboxamide Traditional Name: N-(4-allyloxybenzyl)-3-benzyl-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OCC=C)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=C(C=C1)OCC=C)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3/c1-3-17-33-22-15-13-21(14-16-22)18-29(2)27(32)25-23-11-7-8-12-24(23)26(31)30(28-25)19-20-9-5-4-6-10-20/h3-16H,1,17-19H2,2H3