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

Systemtic Name: [3-[1-[2-(3,4-dimethoxyphenyl)-2-oxidanyl-ethyl]piperidin-4-yl]-4H-quinazolin-2-yl]cyanamide Openeye Name: [3-[1-[2-(3,4-dimethoxyphenyl)-2-hydroxy-ethyl]-4-piperidyl]-4H-quinazolin-2-yl]cyanamide CAS Name: [3-[1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-piperidinyl]-4H-quinazolin-2-yl]cyanamide IUPAC Name: [3-[1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperidin-4-yl]-4H-quinazolin-2-yl]cyanamide Traditional Name: [3-[1-[2-(3,4-dimethoxyphenyl)-2-hydroxy-ethyl]-4-piperidyl]-4H-quinazolin-2-yl]cyanamide Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN2CCC(CC2)N3CC4=CC=CC=C4N=C3NC#N)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CN2CCC(CC2)N3CC4=CC=CC=C4N=C3NC#N)O)OC

InChI

InChI=1S/C24H29N5O3/c1-31-22-8-7-17(13-23(22)32-2)21(30)15-28-11-9-19(10-12-28)29-14-18-5-3-4-6-20(18)27-24(29)26-16-25/h3-8,13,19,21,30H,9-12,14-15H2,1-2H3,(H,26,27)