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

Systemtic Name: N-methyl-4-oxidanylidene-3-pentyl-N-[(4-prop-2-enoxyphenyl)methyl]phthalazine-1-carboxamide Openeye Name: N-[(4-allyloxyphenyl)methyl]-N-methyl-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-methyl-4-oxo-3-pentyl-N-[(4-prop-2-enoxyphenyl)methyl]-1-phthalazinecarboxamide IUPAC Name: N-methyl-4-oxo-3-pentyl-N-[(4-prop-2-enoxyphenyl)methyl]phthalazine-1-carboxamide Traditional Name: N-(4-allyloxybenzyl)-3-amyl-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=CC=C(C=C3)OCC=C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C25H29N3O3/c1-4-6-9-16-28-24(29)22-11-8-7-10-21(22)23(26-28)25(30)27(3)18-19-12-14-20(15-13-19)31-17-5-2/h5,7-8,10-15H,2,4,6,9,16-18H2,1,3H3