2-[4-(6-chloranylcyclohepta[d]imidazol-2-yl)piperazin-1-yl]-6,7-dimethoxy-quinazolin-4-amine

Systemtic Name: 2-[4-(6-chloranylcyclohepta[d]imidazol-2-yl)piperazin-1-yl]-6,7-dimethoxy-quinazolin-4-amine Openeye Name: 2-[4-(6-chlorocyclohepta[d]imidazol-2-yl)piperazin-1-yl]-6,7-dimethoxy-quinazolin-4-amine CAS Name: 2-[4-(6-chloro-2-cyclohepta[d]imidazolyl)-1-piperazinyl]-6,7-dimethoxy-4-quinazolinamine IUPAC Name: 2-[4-(6-chlorocyclohepta[d]imidazol-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine Traditional Name: [2-[4-(6-chlorocyclohept[d]imidazol-2-yl)piperazino]-6,7-dimethoxy-quinazolin-4-yl]amine Formula: C22H22ClN7O2 MolecularWeight: 451.90878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4=NC5=CC=C(C=CC5=N4)Cl)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4=NC5=CC=C(C=CC5=N4)Cl)N)OC

InChI

InChI=1S/C22H22ClN7O2/c1-31-18-11-14-17(12-19(18)32-2)27-22(28-20(14)24)30-9-7-29(8-10-30)21-25-15-5-3-13(23)4-6-16(15)26-21/h3-6,11-12H,7-10H2,1-2H3,(H2,24,27,28)