3-(2-methylpropyl)-4-oxidanylidene-N-[(3,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N-[(3,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide Openeye Name: 3-isobutyl-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(3,4,5-trimethoxybenzyl)phthalazine-1-carboxamide Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H27N3O5/c1-14(2)13-26-23(28)17-9-7-6-8-16(17)20(25-26)22(27)24-12-15-10-18(29-3)21(31-5)19(11-15)30-4/h6-11,14H,12-13H2,1-5H3,(H,24,27)