2-[4-[4-(2-fluoranylphenoxy)piperidin-1-yl]piperidin-1-yl]-4-methyl-7-methylsulfonyl-quinazoline

Systemtic Name: 2-[4-[4-(2-fluoranylphenoxy)piperidin-1-yl]piperidin-1-yl]-4-methyl-7-methylsulfonyl-quinazoline Openeye Name: 2-[4-[4-(2-fluorophenoxy)-1-piperidyl]-1-piperidyl]-4-methyl-7-methylsulfonyl-quinazoline CAS Name: 2-[4-[4-(2-fluorophenoxy)-1-piperidinyl]-1-piperidinyl]-4-methyl-7-methylsulfonylquinazoline IUPAC Name: 2-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-4-methyl-7-methylsulfonylquinazoline Traditional Name: 2-[4-[4-(2-fluorophenoxy)piperidino]piperidino]-7-mesyl-4-methyl-quinazoline Formula: C26H31FN4O3S MolecularWeight: 498.612743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)N4CCC(CC4)OC5=CC=CC=C5F

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)N4CCC(CC4)OC5=CC=CC=C5F

InChI

InChI=1S/C26H31FN4O3S/c1-18-22-8-7-21(35(2,32)33)17-24(22)29-26(28-18)31-13-9-19(10-14-31)30-15-11-20(12-16-30)34-25-6-4-3-5-23(25)27/h3-8,17,19-20H,9-16H2,1-2H3