N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]phthalazine-1-carboxamide Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H22N4O3S/c1-17-23(19-12-14-20(34-2)15-13-19)28-27(35-17)29-25(32)24-21-10-6-7-11-22(21)26(33)31(30-24)16-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3,(H,28,29,32)