4-(azepan-1-yl)-2-(4-chlorophenyl)-6,7-dimethoxy-quinazoline

Systemtic Name: 4-(azepan-1-yl)-2-(4-chlorophenyl)-6,7-dimethoxy-quinazoline Openeye Name: 4-(azepan-1-yl)-2-(4-chlorophenyl)-6,7-dimethoxy-quinazoline CAS Name: 4-(1-azepanyl)-2-(4-chlorophenyl)-6,7-dimethoxyquinazoline IUPAC Name: 4-(azepan-1-yl)-2-(4-chlorophenyl)-6,7-dimethoxyquinazoline Traditional Name: 4-(azepan-1-yl)-2-(4-chlorophenyl)-6,7-dimethoxy-quinazoline Formula: C22H24ClN3O2 MolecularWeight: 397.89786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Cl)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Cl)N4CCCCCC4)OC

InChI

InChI=1S/C22H24ClN3O2/c1-27-19-13-17-18(14-20(19)28-2)24-21(15-7-9-16(23)10-8-15)25-22(17)26-11-5-3-4-6-12-26/h7-10,13-14H,3-6,11-12H2,1-2H3