1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone

Systemtic Name: 1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone Openeye Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone CAS Name: 1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-2-(4-tert-butylphenoxy)ethanone IUPAC Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone Traditional Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-2-(4-tert-butylphenoxy)ethanone Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C25H31N5O2/c1-25(2,3)18-8-10-19(11-9-18)32-17-23(31)30-14-12-29(13-15-30)16-22-27-21-7-5-4-6-20(21)24(26)28-22/h4-11H,12-17H2,1-3H3,(H2,26,27,28)