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

Systemtic Name: 4-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]-1-pyrrolidin-2-yl-but-3-yn-1-ol Openeye Name: 4-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]-1-pyrrolidin-2-yl-but-3-yn-1-ol CAS Name: 4-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]-1-(2-pyrrolidinyl)-3-butyn-1-ol IUPAC Name: 4-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]-1-pyrrolidin-2-ylbut-3-yn-1-ol Traditional Name: 4-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]-1-pyrrolidin-2-yl-but-3-yn-1-ol Formula: C29H28N4O2 MolecularWeight: 464.55822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCC(C4CCCN4)O)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCC(C4CCCN4)O)OC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O2/c1-20-17-22(13-15-28(20)35-23-8-3-2-4-9-23)33-29-24-18-21(12-14-25(24)31-19-32-29)7-5-11-27(34)26-10-6-16-30-26/h2-4,8-9,12-15,17-19,26-27,30,34H,6,10-11,16H2,1H3,(H,31,32,33)