ethyl 1-[1-(1,3-benzodioxol-5-ylmethylamino)pyrido[3,4-d]pyridazin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(1,3-benzodioxol-5-ylmethylamino)pyrido[3,4-d]pyridazin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1-(1,3-benzodioxol-5-ylmethylamino)pyrido[3,4-d]pyridazin-4-yl]piperidine-4-carboxylate CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethylamino)-4-pyrido[3,4-d]pyridazinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(1,3-benzodioxol-5-ylmethylamino)pyrido[3,4-d]pyridazin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[1-(piperonylamino)pyrido[3,4-d]pyridazin-4-yl]isonipecotic acid ethyl ester Formula: C23H25N5O4 MolecularWeight: 435.4757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NN=C(C3=C2C=NC=C3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NN=C(C3=C2C=NC=C3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N5O4/c1-2-30-23(29)16-6-9-28(10-7-16)22-18-13-24-8-5-17(18)21(26-27-22)25-12-15-3-4-19-20(11-15)32-14-31-19/h3-5,8,11,13,16H,2,6-7,9-10,12,14H2,1H3,(H,25,26)