1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)ethanone

Systemtic Name: 1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)ethanone Openeye Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-chloro-2-isopropyl-5-methyl-phenoxy)ethanone CAS Name: 1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethanone Traditional Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-2-(4-chloro-2-isopropyl-5-methyl-phenoxy)ethanone Formula: C25H30ClN5O2 MolecularWeight: 467.991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C25H30ClN5O2/c1-16(2)19-13-20(26)17(3)12-22(19)33-15-24(32)31-10-8-30(9-11-31)14-23-28-21-7-5-4-6-18(21)25(27)29-23/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H2,27,28,29)