2-[4-(chloromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide

Systemtic Name: 2-[4-(chloromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Openeye Name: 2-[4-(chloromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide CAS Name: 2-[4-(chloromethyl)phenyl]-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarboxamide IUPAC Name: 2-[4-(chloromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Traditional Name: 2-[4-(chloromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Formula: C22H24ClN5O3 MolecularWeight: 441.91066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(C(C3)C4=CC=C(C=C4)CCl)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(C(C3)C4=CC=C(C=C4)CCl)C(=O)N)OC

InChI

InChI=1S/C22H24ClN5O3/c1-30-19-9-16-17(10-20(19)31-2)25-13-26-21(16)27-7-8-28(22(24)29)18(12-27)15-5-3-14(11-23)4-6-15/h3-6,9-10,13,18H,7-8,11-12H2,1-2H3,(H2,24,29)