2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-N-(4-bromanyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-N-(4-bromanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: 2-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-N-(4-bromo-2-methylphenyl)acetamide IUPAC Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C22H25BrN6O MolecularWeight: 469.3775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C22H25BrN6O/c1-15-12-16(23)6-7-18(15)26-21(30)14-29-10-8-28(9-11-29)13-20-25-19-5-3-2-4-17(19)22(24)27-20/h2-7,12H,8-11,13-14H2,1H3,(H,26,30)(H2,24,25,27)