N-[(4-bromophenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-[(4-bromophenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Openeye Name: N-[(4-bromophenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide CAS Name: N-[(4-bromophenyl)methyl]-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarboxamide IUPAC Name: N-[(4-bromophenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Traditional Name: N-(4-bromobenzyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Formula: C22H24BrN5O3 MolecularWeight: 486.36166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NCC4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NCC4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C22H24BrN5O3/c1-30-19-11-17-18(12-20(19)31-2)25-14-26-21(17)27-7-9-28(10-8-27)22(29)24-13-15-3-5-16(23)6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,29)