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

Systemtic Name: 4-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]-1-piperidin-4-yl-but-3-yn-1-ol Openeye Name: 4-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]-1-(4-piperidyl)but-3-yn-1-ol CAS Name: 4-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]-1-(4-piperidinyl)-3-butyn-1-ol IUPAC Name: 4-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]-1-piperidin-4-ylbut-3-yn-1-ol Traditional Name: 4-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]-1-(4-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(C4CCNCC4)O)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCC(C4CCNCC4)O)OC5=CC=CC=C5

InChI

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