N-methyl-3-(2-methylpropyl)-4-oxidanylidene-N-(thiophen-3-ylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-methyl-3-(2-methylpropyl)-4-oxidanylidene-N-(thiophen-3-ylmethyl)phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-methyl-4-oxo-N-(3-thienylmethyl)phthalazine-1-carboxamide CAS Name: N-methyl-3-(2-methylpropyl)-4-oxo-N-(3-thiophenylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-methyl-3-(2-methylpropyl)-4-oxo-N-(thiophen-3-ylmethyl)phthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-methyl-N-(3-thenyl)phthalazine-1-carboxamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=CSC=C3

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=CSC=C3

InChI

InChI=1S/C19H21N3O2S/c1-13(2)10-22-18(23)16-7-5-4-6-15(16)17(20-22)19(24)21(3)11-14-8-9-25-12-14/h4-9,12-13H,10-11H2,1-3H3