1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-(3-methyl-4-propan-2-yl-phenoxy)ethanone

Systemtic Name: 1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-(3-methyl-4-propan-2-yl-phenoxy)ethanone Openeye Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-isopropyl-3-methyl-phenoxy)ethanone CAS Name: 1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone Traditional Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-2-(4-isopropyl-3-methyl-phenoxy)ethanone Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N)C(C)C

InChI

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