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

Systemtic Name: 3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]-1-piperidin-3-yl-prop-2-yn-1-ol Openeye Name: 3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]-1-(3-piperidyl)prop-2-yn-1-ol CAS Name: 3-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]-1-(3-piperidinyl)-2-propyn-1-ol IUPAC Name: 3-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]-1-piperidin-3-ylprop-2-yn-1-ol Traditional Name: 3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]-1-(3-piperidyl)prop-2-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#CC(C4CCCNC4)O)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC(C4CCCNC4)O)OC5=CC=CC=C5

InChI

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