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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCC(CC4)CO)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCC(CC4)CO)OC5=CC=CC=C5

InChI

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