5-(3-phenylmethoxyphenyl)-7-[3-(pyrrolidin-1-ylmethyl)cyclobutyl]pyrrolo[2,3-c]pyridazin-4-amine

Systemtic Name: 5-(3-phenylmethoxyphenyl)-7-[3-(pyrrolidin-1-ylmethyl)cyclobutyl]pyrrolo[2,3-c]pyridazin-4-amine Openeye Name: 5-(3-benzyloxyphenyl)-7-[3-(pyrrolidin-1-ylmethyl)cyclobutyl]pyrrolo[2,3-c]pyridazin-4-amine CAS Name: 5-(3-phenylmethoxyphenyl)-7-[3-(1-pyrrolidinylmethyl)cyclobutyl]-4-pyrrolo[2,3-c]pyridazinamine IUPAC Name: 5-(3-phenylmethoxyphenyl)-7-[3-(pyrrolidin-1-ylmethyl)cyclobutyl]pyrrolo[2,3-c]pyridazin-4-amine Traditional Name: [5-(3-benzoxyphenyl)-7-[3-(pyrrolidinomethyl)cyclobutyl]pyrrolo[2,3-c]pyridazin-4-yl]amine Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CC(C2)N3C=C(C4=C3N=NC=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)CC2CC(C2)N3C=C(C4=C3N=NC=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C28H31N5O/c29-26-16-30-31-28-27(26)25(18-33(28)23-13-21(14-23)17-32-11-4-5-12-32)22-9-6-10-24(15-22)34-19-20-7-2-1-3-8-20/h1-3,6-10,15-16,18,21,23H,4-5,11-14,17,19H2,(H2,29,31)