5-methoxy-3,5-dimethyl-1-[4-[[4-(phenylmethyl)phenyl]amino]quinazolin-6-yl]hex-1-yn-3-ol

Systemtic Name: 5-methoxy-3,5-dimethyl-1-[4-[[4-(phenylmethyl)phenyl]amino]quinazolin-6-yl]hex-1-yn-3-ol Openeye Name: 1-[4-(4-benzylanilino)quinazolin-6-yl]-5-methoxy-3,5-dimethyl-hex-1-yn-3-ol CAS Name: 5-methoxy-3,5-dimethyl-1-[4-[4-(phenylmethyl)anilino]-6-quinazolinyl]-1-hexyn-3-ol IUPAC Name: 1-[4-(4-benzylanilino)quinazolin-6-yl]-5-methoxy-3,5-dimethylhex-1-yn-3-ol Traditional Name: 1-[4-(4-benzylanilino)quinazolin-6-yl]-5-methoxy-3,5-dimethyl-hex-1-yn-3-ol Formula: C30H31N3O2 MolecularWeight: 465.58604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C)(C#CC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)CC4=CC=CC=C4)O)OC

Isomeric SMILES

CC(C)(CC(C)(C#CC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)CC4=CC=CC=C4)O)OC

InChI

InChI=1S/C30H31N3O2/c1-29(2,35-4)20-30(3,34)17-16-24-12-15-27-26(19-24)28(32-21-31-27)33-25-13-10-23(11-14-25)18-22-8-6-5-7-9-22/h5-15,19,21,34H,18,20H2,1-4H3,(H,31,32,33)