N-methyl-2-[4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]phenoxy]ethanamide

Systemtic Name: N-methyl-2-[4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]phenoxy]ethanamide Openeye Name: N-methyl-2-[4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]phenoxy]acetamide CAS Name: N-methyl-2-[4-[[4-(4-prop-2-ynoxyphenyl)-1-phthalazinyl]amino]phenoxy]acetamide IUPAC Name: N-methyl-2-[4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]phenoxy]acetamide Traditional Name: N-methyl-2-[4-[[4-(4-propargyloxyphenyl)phthalazin-1-yl]amino]phenoxy]acetamide Formula: C26H22N4O3 MolecularWeight: 438.47788

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)OCC#C

Isomeric SMILES

CNC(=O)COC1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)OCC#C

InChI

InChI=1S/C26H22N4O3/c1-3-16-32-20-12-8-18(9-13-20)25-22-6-4-5-7-23(22)26(30-29-25)28-19-10-14-21(15-11-19)33-17-24(31)27-2/h1,4-15H,16-17H2,2H3,(H,27,31)(H,28,30)