N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-(morpholinomethyl)thiazol-2-yl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-(4-morpholinylmethyl)-2-thiazolyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-(morpholinomethyl)thiazol-2-yl]-3-propyl-phthalazine-1-carboxamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)CN4CCOCC4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)CN4CCOCC4

InChI

InChI=1S/C20H23N5O3S/c1-2-7-25-19(27)16-6-4-3-5-15(16)17(23-25)18(26)22-20-21-14(13-29-20)12-24-8-10-28-11-9-24/h3-6,13H,2,7-12H2,1H3,(H,21,22,26)