2-methoxy-5-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide

Systemtic Name: 2-methoxy-5-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide Openeye Name: 2-methoxy-5-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide CAS Name: 2-methoxy-5-[[4-(4-prop-2-ynoxyphenyl)-1-phthalazinyl]amino]benzamide IUPAC Name: 2-methoxy-5-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide Traditional Name: 2-methoxy-5-[[4-(4-propargyloxyphenyl)phthalazin-1-yl]amino]benzamide Formula: C25H20N4O3 MolecularWeight: 424.4513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N4O3/c1-3-14-32-18-11-8-16(9-12-18)23-19-6-4-5-7-20(19)25(29-28-23)27-17-10-13-22(31-2)21(15-17)24(26)30/h1,4-13,15H,14H2,2H3,(H2,26,30)(H,27,29)