5-[4-(isoquinolin-3-ylmethyl)piperazin-1-yl]-2-phenyl-4-(3-phenylpropoxy)pyridazin-3-one

Systemtic Name: 5-[4-(isoquinolin-3-ylmethyl)piperazin-1-yl]-2-phenyl-4-(3-phenylpropoxy)pyridazin-3-one Openeye Name: 5-[4-(3-isoquinolylmethyl)piperazin-1-yl]-2-phenyl-4-(3-phenylpropoxy)pyridazin-3-one CAS Name: 5-[4-(3-isoquinolinylmethyl)-1-piperazinyl]-2-phenyl-4-(3-phenylpropoxy)-3-pyridazinone IUPAC Name: 5-[4-(isoquinolin-3-ylmethyl)piperazin-1-yl]-2-phenyl-4-(3-phenylpropoxy)pyridazin-3-one Traditional Name: 5-[4-(3-isoquinolylmethyl)piperazino]-2-phenyl-4-(3-phenylpropoxy)pyridazin-3-one Formula: C33H33N5O2 MolecularWeight: 531.64742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=CC=CC=C3C=N2)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)OCCCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=CC=CC=C3C=N2)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)OCCCC6=CC=CC=C6

InChI

InChI=1S/C33H33N5O2/c39-33-32(40-21-9-12-26-10-3-1-4-11-26)31(24-35-38(33)30-15-5-2-6-16-30)37-19-17-36(18-20-37)25-29-22-27-13-7-8-14-28(27)23-34-29/h1-8,10-11,13-16,22-24H,9,12,17-21,25H2