N-(3-bromophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(3-bromophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Openeye Name: N-(3-bromophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide CAS Name: N-(3-bromophenyl)-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarboxamide IUPAC Name: N-(3-bromophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Traditional Name: N-(3-bromophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Formula: C21H22BrN5O3 MolecularWeight: 472.33508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)Br)OC

InChI

InChI=1S/C21H22BrN5O3/c1-29-18-11-16-17(12-19(18)30-2)23-13-24-20(16)26-6-8-27(9-7-26)21(28)25-15-5-3-4-14(22)10-15/h3-5,10-13H,6-9H2,1-2H3,(H,25,28)