6-chloranyl-7-ethynyl-3-[2-oxidanylidene-3-(3-oxidanylpiperidin-2-yl)propyl]quinazolin-4-one

Systemtic Name: 6-chloranyl-7-ethynyl-3-[2-oxidanylidene-3-(3-oxidanylpiperidin-2-yl)propyl]quinazolin-4-one Openeye Name: 6-chloro-7-ethynyl-3-[3-(3-hydroxy-2-piperidyl)-2-oxo-propyl]quinazolin-4-one CAS Name: 6-chloro-7-ethynyl-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-4-quinazolinone IUPAC Name: 6-chloro-7-ethynyl-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]quinazolin-4-one Traditional Name: 6-chloro-7-ethynyl-3-[3-(3-hydroxy-2-piperidyl)-2-keto-propyl]quinazolin-4-one Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1Cl)C(=O)N(C=N2)CC(=O)CC3C(CCCN3)O

Isomeric SMILES

C#CC1=CC2=C(C=C1Cl)C(=O)N(C=N2)CC(=O)CC3C(CCCN3)O

InChI

InChI=1S/C18H18ClN3O3/c1-2-11-6-15-13(8-14(11)19)18(25)22(10-21-15)9-12(23)7-16-17(24)4-3-5-20-16/h1,6,8,10,16-17,20,24H,3-5,7,9H2