4-phenyl-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-phenyl-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-phenyl-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one CAS Name: 4-phenyl-1-[4-[6-(1-pyrrolidinyl)-3-pyridazinyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-phenyl-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-phenyl-1-[4-(6-pyrrolidinopyridazin-3-yl)piperazino]butan-1-one Formula: C22H29N5O MolecularWeight: 379.49856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O/c28-22(10-6-9-19-7-2-1-3-8-19)27-17-15-26(16-18-27)21-12-11-20(23-24-21)25-13-4-5-14-25/h1-3,7-8,11-12H,4-6,9-10,13-18H2