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

Systemtic Name: 4-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]-1-piperidin-4-yl-but-3-yn-1-ol Openeye Name: 4-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]-1-(4-piperidyl)but-3-yn-1-ol CAS Name: 4-[4-(3-methoxy-4-phenoxyanilino)-6-quinazolinyl]-1-(4-piperidinyl)-3-butyn-1-ol IUPAC Name: 4-[4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]-1-piperidin-4-ylbut-3-yn-1-ol Traditional Name: 4-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]-1-(4-piperidyl)but-3-yn-1-ol Formula: C30H30N4O3 MolecularWeight: 494.5842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCC(C4CCNCC4)O)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCC(C4CCNCC4)O)OC5=CC=CC=C5

InChI

InChI=1S/C30H30N4O3/c1-36-29-19-23(11-13-28(29)37-24-7-3-2-4-8-24)34-30-25-18-21(10-12-26(25)32-20-33-30)6-5-9-27(35)22-14-16-31-17-15-22/h2-4,7-8,10-13,18-20,22,27,31,35H,9,14-17H2,1H3,(H,32,33,34)