1-(6,7-dimethoxyquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine; methanesulfonic acid

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine; methanesulfonic acid Openeye Name: 1-(6,7-dimethoxyquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine; methanesulfonic acid CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-2,3,4,5-tetrahydro-1-benzazepine; methanesulfonic acid IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine; methanesulfonic acid Traditional Name: 1-(6,7-dimethoxyquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine; mesylic acid Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCCCC4=CC=CC=C43)OC.CS(=O)(=O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCCCC4=CC=CC=C43)OC.CS(=O)(=O)O

InChI

InChI=1S/C20H21N3O2.CH4O3S/c1-24-18-11-15-16(12-19(18)25-2)21-13-22-20(15)23-10-6-5-8-14-7-3-4-9-17(14)23;1-5(2,3)4/h3-4,7,9,11-13H,5-6,8,10H2,1-2H3;1H3,(H,2,3,4)