N-[4-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide Openeye Name: N-[4-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide CAS Name: N-[4-[[4-(3,4-dimethylphenyl)-1-phthalazinyl]oxy]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)OC4=CC=C(C=C4)NC(=O)C5=CC=CS5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)OC4=CC=C(C=C4)NC(=O)C5=CC=CS5)C

InChI

InChI=1S/C27H21N3O2S/c1-17-9-10-19(16-18(17)2)25-22-6-3-4-7-23(22)27(30-29-25)32-21-13-11-20(12-14-21)28-26(31)24-8-5-15-33-24/h3-16H,1-2H3,(H,28,31)