N-(3-ethynylphenyl)-7-methoxy-6-piperidin-4-yloxy-quinazolin-4-amine dihydrochloride

Systemtic Name: N-(3-ethynylphenyl)-7-methoxy-6-piperidin-4-yloxy-quinazolin-4-amine dihydrochloride Openeye Name: N-(3-ethynylphenyl)-7-methoxy-6-(4-piperidyloxy)quinazolin-4-amine dihydrochloride CAS Name: N-(3-ethynylphenyl)-7-methoxy-6-(4-piperidinyloxy)-4-quinazolinamine dihydrochloride IUPAC Name: N-(3-ethynylphenyl)-7-methoxy-6-piperidin-4-yloxyquinazolin-4-amine dihydrochloride Traditional Name: (3-ethynylphenyl)-[7-methoxy-6-(4-piperidyloxy)quinazolin-4-yl]amine dihydrochloride Formula: C22H24Cl2N4O2 MolecularWeight: 447.35756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OC4CCNCC4.Cl.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OC4CCNCC4.Cl.Cl

InChI

InChI=1S/C22H22N4O2.2ClH/c1-3-15-5-4-6-16(11-15)26-22-18-12-21(28-17-7-9-23-10-8-17)20(27-2)13-19(18)24-14-25-22;;/h1,4-6,11-14,17,23H,7-10H2,2H3,(H,24,25,26);2*1H