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

Systemtic Name: N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[4-[(4-methyl-1-piperidyl)methyl]thiazol-2-yl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[4-[(4-methyl-1-piperidinyl)methyl]-2-thiazolyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[4-[(4-methylpiperidino)methyl]thiazol-2-yl]phthalazine-1-carboxamide Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)CN4CCC(CC4)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)CN4CCC(CC4)C

InChI

InChI=1S/C24H31N5O2S/c1-3-4-7-12-29-23(31)20-9-6-5-8-19(20)21(27-29)22(30)26-24-25-18(16-32-24)15-28-13-10-17(2)11-14-28/h5-6,8-9,16-17H,3-4,7,10-15H2,1-2H3,(H,25,26,30)