3-[[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[2-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[2-(1,3-benzothiazol-2-yl)-1-piperidinyl]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[[2-(1,3-benzothiazol-2-yl)piperidino]methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN3CCCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN3CCCCC3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H23N5O2S/c1-24-21(29)20-15-8-2-3-9-16(15)23(30)28(26-20)14-27-13-7-6-11-18(27)22-25-17-10-4-5-12-19(17)31-22/h2-5,8-10,12,18H,6-7,11,13-14H2,1H3,(H,24,29)