6-but-1-ynyl-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine

Systemtic Name: 6-but-1-ynyl-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine Openeye Name: 6-but-1-ynyl-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine CAS Name: 6-but-1-ynyl-N-(3-methyl-4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 6-but-1-ynyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine Traditional Name: (6-but-1-ynylquinazolin-4-yl)-(3-methyl-4-phenoxy-phenyl)amine Formula: C25H21N3O MolecularWeight: 379.45374

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CCC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C25H21N3O/c1-3-4-8-19-11-13-23-22(16-19)25(27-17-26-23)28-20-12-14-24(18(2)15-20)29-21-9-6-5-7-10-21/h5-7,9-17H,3H2,1-2H3,(H,26,27,28)