4-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]-1-piperidin-2-yl-but-3-yn-1-ol

Systemtic Name: 4-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]-1-piperidin-2-yl-but-3-yn-1-ol Openeye Name: 4-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]-1-(2-piperidyl)but-3-yn-1-ol CAS Name: 4-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]-1-(2-piperidinyl)-3-butyn-1-ol IUPAC Name: 4-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]-1-piperidin-2-ylbut-3-yn-1-ol Traditional Name: 4-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]-1-(2-piperidyl)but-3-yn-1-ol Formula: C30H30N4O2 MolecularWeight: 478.5848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCC(C4CCCCN4)O)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCC(C4CCCCN4)O)OC5=CC=CC=C5

InChI

InChI=1S/C30H30N4O2/c1-21-18-23(14-16-29(21)36-24-9-3-2-4-10-24)34-30-25-19-22(13-15-26(25)32-20-33-30)8-7-12-28(35)27-11-5-6-17-31-27/h2-4,9-10,13-16,18-20,27-28,31,35H,5-6,11-12,17H2,1H3,(H,32,33,34)