[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(2-bromanyl-5-methoxy-phenyl)methanone

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(2-bromanyl-5-methoxy-phenyl)methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(2-bromo-5-methoxy-phenyl)methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-(2-bromo-5-methoxyphenyl)methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(2-bromo-5-methoxyphenyl)methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-(2-bromo-5-methoxy-phenyl)methanone Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H22BrN5O2/c1-29-14-6-7-17(22)16(12-14)21(28)27-10-8-26(9-11-27)13-19-24-18-5-3-2-4-15(18)20(23)25-19/h2-7,12H,8-11,13H2,1H3,(H2,23,24,25)