(3S)-1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(4-oxo-3H-phthalazine-1-carbonyl)-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-oxo-3H-phthalazine-1-carbonyl)-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-(4-keto-3H-phthalazine-1-carbonyl)-N-phenyl-nipecotamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3/c26-19(22-15-8-2-1-3-9-15)14-7-6-12-25(13-14)21(28)18-16-10-4-5-11-17(16)20(27)24-23-18/h1-5,8-11,14H,6-7,12-13H2,(H,22,26)(H,24,27)/t14-/m0/s1