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

Systemtic Name: N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[4-(morpholinomethyl)thiazol-2-yl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[4-(4-morpholinylmethyl)-2-thiazolyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[4-(morpholinomethyl)thiazol-2-yl]phthalazine-1-carboxamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)CN4CCOCC4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)CN4CCOCC4

InChI

InChI=1S/C22H27N5O3S/c1-2-3-6-9-27-21(29)18-8-5-4-7-17(18)19(25-27)20(28)24-22-23-16(15-31-22)14-26-10-12-30-13-11-26/h4-5,7-8,15H,2-3,6,9-14H2,1H3,(H,23,24,28)