3-[1-[2-[(4-chlorophenyl)-pyridin-2-yl-amino]ethyl]piperidin-4-yl]quinazolin-4-one dihydrochloride

Systemtic Name: 3-[1-[2-[(4-chlorophenyl)-pyridin-2-yl-amino]ethyl]piperidin-4-yl]quinazolin-4-one dihydrochloride Openeye Name: 3-[1-[2-[4-chloro-N-(2-pyridyl)anilino]ethyl]-4-piperidyl]quinazolin-4-one dihydrochloride CAS Name: 3-[1-[2-[4-chloro-N-(2-pyridinyl)anilino]ethyl]-4-piperidinyl]-4-quinazolinone dihydrochloride IUPAC Name: 3-[1-[2-(4-chloro-N-pyridin-2-ylanilino)ethyl]piperidin-4-yl]quinazolin-4-one dihydrochloride Traditional Name: 3-[1-[2-[4-chloro-N-(2-pyridyl)anilino]ethyl]-4-piperidyl]quinazolin-4-one dihydrochloride Formula: C26H28Cl3N5O MolecularWeight: 532.89242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=NC3=CC=CC=C3C2=O)CCN(C4=CC=C(C=C4)Cl)C5=CC=CC=N5.Cl.Cl

Isomeric SMILES

C1CN(CCC1N2C=NC3=CC=CC=C3C2=O)CCN(C4=CC=C(C=C4)Cl)C5=CC=CC=N5.Cl.Cl

InChI

InChI=1S/C26H26ClN5O.2ClH/c27-20-8-10-21(11-9-20)31(25-7-3-4-14-28-25)18-17-30-15-12-22(13-16-30)32-19-29-24-6-2-1-5-23(24)26(32)33;;/h1-11,14,19,22H,12-13,15-18H2;2*1H