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

Systemtic Name: N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[4-[(4-methyl-1-piperidyl)methyl]thiazol-2-yl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[4-[(4-methyl-1-piperidinyl)methyl]-2-thiazolyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-[(4-methylpiperidino)methyl]thiazol-2-yl]-3-phenyl-phthalazine-1-carboxamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1CCN(CC1)CC2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O2S/c1-17-11-13-29(14-12-17)15-18-16-33-25(26-18)27-23(31)22-20-9-5-6-10-21(20)24(32)30(28-22)19-7-3-2-4-8-19/h2-10,16-17H,11-15H2,1H3,(H,26,27,31)