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

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N-phenethyl-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-4-oxo-N-phenethyl-phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-N-phenethyl-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-4-oxo-N-phenethylphthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-phenethyl-phthalazine-1-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c1-15(2)14-24-21(26)18-11-7-6-10-17(18)19(23-24)20(25)22-13-12-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,22,25)