N,N-diethyl-4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide

Systemtic Name: N,N-diethyl-4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide Openeye Name: N,N-diethyl-4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide CAS Name: N,N-diethyl-4-[[4-(4-prop-2-ynoxyphenyl)-1-phthalazinyl]amino]benzamide IUPAC Name: N,N-diethyl-4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide Traditional Name: N,N-diethyl-4-[[4-(4-propargyloxyphenyl)phthalazin-1-yl]amino]benzamide Formula: C28H26N4O2 MolecularWeight: 450.53164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N4O2/c1-4-19-34-23-17-13-20(14-18-23)26-24-9-7-8-10-25(24)27(31-30-26)29-22-15-11-21(12-16-22)28(33)32(5-2)6-3/h1,7-18H,5-6,19H2,2-3H3,(H,29,31)