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

Systemtic Name: N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[4-[(4-methyl-1-piperidyl)methyl]thiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-[(4-methyl-1-piperidinyl)methyl]-2-thiazolyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[4-[(4-methylpiperidino)methyl]thiazol-2-yl]phthalazine-1-carboxamide Formula: C26H27N5O2S MolecularWeight: 473.58988

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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)CC5=CC=CC=C5

Isomeric SMILES

CC1CCN(CC1)CC2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H27N5O2S/c1-18-11-13-30(14-12-18)16-20-17-34-26(27-20)28-24(32)23-21-9-5-6-10-22(21)25(33)31(29-23)15-19-7-3-2-4-8-19/h2-10,17-18H,11-16H2,1H3,(H,27,28,32)