(3S)-1-[(1-oxidanylidenephthalazin-2-yl)methyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(1-oxidanylidenephthalazin-2-yl)methyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(1-oxophthalazin-2-yl)methyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(1-oxo-2-phthalazinyl)methyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(1-oxophthalazin-2-yl)methyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(1-ketophthalazin-2-yl)methyl]-N-phenyl-nipecotamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CN2C(=O)C3=CC=CC=C3C=N2)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)CN2C(=O)C3=CC=CC=C3C=N2)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2/c26-20(23-18-9-2-1-3-10-18)17-8-6-12-24(14-17)15-25-21(27)19-11-5-4-7-16(19)13-22-25/h1-5,7,9-11,13,17H,6,8,12,14-15H2,(H,23,26)/t17-/m0/s1