N-[(1S)-3-methyl-1-phenyl-butyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(1S)-3-methyl-1-phenyl-butyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(1S)-3-methyl-1-phenyl-butyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(1S)-3-methyl-1-phenylbutyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(1S)-3-methyl-1-phenylbutyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(1S)-3-methyl-1-phenyl-butyl]-3H-phthalazine-1-carboxamide Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)C[C@@H](C1=CC=CC=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H21N3O2/c1-13(2)12-17(14-8-4-3-5-9-14)21-20(25)18-15-10-6-7-11-16(15)19(24)23-22-18/h3-11,13,17H,12H2,1-2H3,(H,21,25)(H,23,24)/t17-/m0/s1