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

Systemtic Name: 3-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]-1-piperidin-3-yl-prop-2-yn-1-ol Openeye Name: 3-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]-1-(3-piperidyl)prop-2-yn-1-ol CAS Name: 3-[4-(3-methoxy-4-phenoxyanilino)-6-quinazolinyl]-1-(3-piperidinyl)-2-propyn-1-ol IUPAC Name: 3-[4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]-1-piperidin-3-ylprop-2-yn-1-ol Traditional Name: 3-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]-1-(3-piperidyl)prop-2-yn-1-ol Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC(C4CCCNC4)O)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC(C4CCCNC4)O)OC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O3/c1-35-28-17-22(11-14-27(28)36-23-7-3-2-4-8-23)33-29-24-16-20(9-12-25(24)31-19-32-29)10-13-26(34)21-6-5-15-30-18-21/h2-4,7-9,11-12,14,16-17,19,21,26,30,34H,5-6,15,18H2,1H3,(H,31,32,33)