N-[6,7-dimethoxy-2-(4-phenoxyphenyl)quinazolin-4-yl]-N',N'-dimethyl-propane-1,3-diamine

Systemtic Name: N-[6,7-dimethoxy-2-(4-phenoxyphenyl)quinazolin-4-yl]-N',N'-dimethyl-propane-1,3-diamine Openeye Name: N-[6,7-dimethoxy-2-(4-phenoxyphenyl)quinazolin-4-yl]-N',N'-dimethyl-propane-1,3-diamine CAS Name: N-[6,7-dimethoxy-2-(4-phenoxyphenyl)-4-quinazolinyl]-N',N'-dimethylpropane-1,3-diamine IUPAC Name: N-[6,7-dimethoxy-2-(4-phenoxyphenyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine Traditional Name: 3-[[6,7-dimethoxy-2-(4-phenoxyphenyl)quinazolin-4-yl]amino]propyl-dimethyl-amine Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=NC2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CN(C)CCCNC1=NC(=NC2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O3/c1-31(2)16-8-15-28-27-22-17-24(32-3)25(33-4)18-23(22)29-26(30-27)19-11-13-21(14-12-19)34-20-9-6-5-7-10-20/h5-7,9-14,17-18H,8,15-16H2,1-4H3,(H,28,29,30)