6-chloranyl-3-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]quinazolin-4-one dihydrochloride

Systemtic Name: 6-chloranyl-3-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]quinazolin-4-one dihydrochloride Openeye Name: 6-chloro-3-[4-methoxy-3-[[[(2S,3S)-2-phenyl-3-piperidyl]amino]methyl]phenyl]quinazolin-4-one dihydrochloride CAS Name: 6-chloro-3-[4-methoxy-3-[[[(2S,3S)-2-phenyl-3-piperidinyl]amino]methyl]phenyl]-4-quinazolinone dihydrochloride IUPAC Name: 6-chloro-3-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]quinazolin-4-one dihydrochloride Traditional Name: 6-chloro-3-[4-methoxy-3-[[[(2S,3S)-2-phenyl-3-piperidyl]amino]methyl]phenyl]quinazolin-4-one dihydrochloride Formula: C27H29Cl3N4O2 MolecularWeight: 547.90376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C=NC3=C(C2=O)C=C(C=C3)Cl)CNC4CCCNC4C5=CC=CC=C5.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C=NC3=C(C2=O)C=C(C=C3)Cl)CN[C@H]4CCCN[C@H]4C5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C27H27ClN4O2.2ClH/c1-34-25-12-10-21(32-17-31-23-11-9-20(28)15-22(23)27(32)33)14-19(25)16-30-24-8-5-13-29-26(24)18-6-3-2-4-7-18;;/h2-4,6-7,9-12,14-15,17,24,26,29-30H,5,8,13,16H2,1H3;2*1H/t24-,26-;;/m0../s1