3-(2-methylpropyl)-4-oxidanylidene-N-(4-propylphenyl)phthalazine-1-carboxamide

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N-(4-propylphenyl)phthalazine-1-carboxamide Openeye Name: 3-isobutyl-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(4-propylphenyl)phthalazine-1-carboxamide Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C22H25N3O2/c1-4-7-16-10-12-17(13-11-16)23-21(26)20-18-8-5-6-9-19(18)22(27)25(24-20)14-15(2)3/h5-6,8-13,15H,4,7,14H2,1-3H3,(H,23,26)