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

Systemtic Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C27H22N4O4S MolecularWeight: 498.55298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O4S/c1-34-18-12-13-23(35-2)21(14-18)22-16-36-27(28-22)29-25(32)24-19-10-6-7-11-20(19)26(33)31(30-24)15-17-8-4-3-5-9-17/h3-14,16H,15H2,1-2H3,(H,28,29,32)