[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3-bromanyl-4-phenylmethoxy-phenyl)methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3-bromanyl-4-phenylmethoxy-phenyl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(4-benzyloxy-3-bromo-phenyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(3-bromo-4-phenylmethoxyphenyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-bromo-4-phenylmethoxyphenyl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-(4-benzoxy-3-bromo-phenyl)methanone Formula: C28H28BrN5O4 MolecularWeight: 578.45702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)OCC5=CC=CC=C5)Br)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)OCC5=CC=CC=C5)Br)N)OC

InChI

InChI=1S/C28H28BrN5O4/c1-36-24-15-20-22(16-25(24)37-2)31-28(32-26(20)30)34-12-10-33(11-13-34)27(35)19-8-9-23(21(29)14-19)38-17-18-6-4-3-5-7-18/h3-9,14-16H,10-13,17H2,1-2H3,(H2,30,31,32)