3-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-5,5-dimethyl-cyclohex-2-en-1-one dihydrochloride

Systemtic Name: 3-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-5,5-dimethyl-cyclohex-2-en-1-one dihydrochloride Openeye Name: 3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-5,5-dimethyl-cyclohex-2-en-1-one dihydrochloride CAS Name: 3-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1,4-diazepan-1-yl]-5,5-dimethyl-1-cyclohex-2-enone dihydrochloride IUPAC Name: 3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-5,5-dimethylcyclohex-2-en-1-one dihydrochloride Traditional Name: 3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-5,5-dimethyl-cyclohex-2-en-1-one dihydrochloride Formula: C23H33Cl2N5O3 MolecularWeight: 498.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)N2CCCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC)C.Cl.Cl

Isomeric SMILES

CC1(CC(=CC(=O)C1)N2CCCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC)C.Cl.Cl

InChI

InChI=1S/C23H31N5O3.2ClH/c1-23(2)13-15(10-16(29)14-23)27-6-5-7-28(9-8-27)22-25-18-12-20(31-4)19(30-3)11-17(18)21(24)26-22;;/h10-12H,5-9,13-14H2,1-4H3,(H2,24,25,26);2*1H