2-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-phthalazin-1-yl-piperidin-4-ol hydrochloride

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-phthalazin-1-yl-piperidin-4-ol hydrochloride Openeye Name: 2-[(3-chloro-4-methoxy-phenyl)methylamino]-1-phthalazin-1-yl-piperidin-4-ol hydrochloride CAS Name: 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-(1-phthalazinyl)-4-piperidinol hydrochloride IUPAC Name: 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phthalazin-1-ylpiperidin-4-ol hydrochloride Traditional Name: 2-[(3-chloro-4-methoxy-benzyl)amino]-1-phthalazin-1-yl-piperidin-4-ol hydrochloride Formula: C21H24Cl2N4O2 MolecularWeight: 435.34686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2CC(CCN2C3=NN=CC4=CC=CC=C43)O)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2CC(CCN2C3=NN=CC4=CC=CC=C43)O)Cl.Cl

InChI

InChI=1S/C21H23ClN4O2.ClH/c1-28-19-7-6-14(10-18(19)22)12-23-20-11-16(27)8-9-26(20)21-17-5-3-2-4-15(17)13-24-25-21;/h2-7,10,13,16,20,23,27H,8-9,11-12H2,1H3;1H