[3-[1-[1-(3,4-dimethoxyphenyl)-1-oxidanyl-propan-2-yl]piperidin-4-yl]-4H-quinazolin-2-yl]cyanamide

Systemtic Name: [3-[1-[1-(3,4-dimethoxyphenyl)-1-oxidanyl-propan-2-yl]piperidin-4-yl]-4H-quinazolin-2-yl]cyanamide Openeye Name: [3-[1-[2-(3,4-dimethoxyphenyl)-2-hydroxy-1-methyl-ethyl]-4-piperidyl]-4H-quinazolin-2-yl]cyanamide CAS Name: [3-[1-[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]-4-piperidinyl]-4H-quinazolin-2-yl]cyanamide IUPAC Name: [3-[1-[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]piperidin-4-yl]-4H-quinazolin-2-yl]cyanamide Traditional Name: [3-[1-[2-(3,4-dimethoxyphenyl)-2-hydroxy-1-methyl-ethyl]-4-piperidyl]-4H-quinazolin-2-yl]cyanamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC(=C(C=C1)OC)OC)O)N2CCC(CC2)N3CC4=CC=CC=C4N=C3NC#N

Isomeric SMILES

CC(C(C1=CC(=C(C=C1)OC)OC)O)N2CCC(CC2)N3CC4=CC=CC=C4N=C3NC#N

InChI

InChI=1S/C25H31N5O3/c1-17(24(31)18-8-9-22(32-2)23(14-18)33-3)29-12-10-20(11-13-29)30-15-19-6-4-5-7-21(19)28-25(30)27-16-26/h4-9,14,17,20,24,31H,10-13,15H2,1-3H3,(H,27,28)