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

Systemtic Name: 2-methoxy-N-methyl-5-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide Openeye Name: 2-methoxy-N-methyl-5-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide CAS Name: 2-methoxy-N-methyl-5-[[4-(4-prop-2-ynoxyphenyl)-1-phthalazinyl]amino]benzamide IUPAC Name: 2-methoxy-N-methyl-5-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide Traditional Name: 2-methoxy-N-methyl-5-[[4-(4-propargyloxyphenyl)phthalazin-1-yl]amino]benzamide Formula: C26H22N4O3 MolecularWeight: 438.47788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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