N-[4-(morpholin-4-ylmethyl)phenyl]-1-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyl]piperidine-4-carboxamide

Systemtic Name: N-[4-(morpholin-4-ylmethyl)phenyl]-1-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyl]piperidine-4-carboxamide Openeye Name: N-[4-(morpholinomethyl)phenyl]-1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidine-4-carboxamide CAS Name: N-[4-(4-morpholinylmethyl)phenyl]-1-[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(morpholin-4-ylmethyl)phenyl]-1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-(4-keto-3H-phthalazin-1-yl)acetyl]-N-[4-(morpholinomethyl)phenyl]isonipecotamide Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CN3CCOCC3)C(=O)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CN3CCOCC3)C(=O)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C27H31N5O4/c33-25(17-24-22-3-1-2-4-23(22)27(35)30-29-24)32-11-9-20(10-12-32)26(34)28-21-7-5-19(6-8-21)18-31-13-15-36-16-14-31/h1-8,20H,9-18H2,(H,28,34)(H,30,35)