3-[4-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]piperidin-1-yl]-6-chloranyl-pyridazine

Systemtic Name: 3-[4-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]piperidin-1-yl]-6-chloranyl-pyridazine Openeye Name: 3-[4-[4-[(2-bromo-5-methoxy-phenyl)methyl]-1-piperidyl]-1-piperidyl]-6-chloro-pyridazine CAS Name: 3-[4-[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperidinyl]-1-piperidinyl]-6-chloropyridazine IUPAC Name: 3-[4-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]piperidin-1-yl]-6-chloropyridazine Traditional Name: 3-[4-[4-(2-bromo-5-methoxy-benzyl)piperidino]piperidino]-6-chloro-pyridazine Formula: C22H28BrClN4O MolecularWeight: 479.84092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)C3CCN(CC3)C4=NN=C(C=C4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)C3CCN(CC3)C4=NN=C(C=C4)Cl

InChI

InChI=1S/C22H28BrClN4O/c1-29-19-2-3-20(23)17(15-19)14-16-6-10-27(11-7-16)18-8-12-28(13-9-18)22-5-4-21(24)25-26-22/h2-5,15-16,18H,6-14H2,1H3