1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-[6-(1-azepanyl)-3-pyridazinyl]-1-piperazinyl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazino]-3-phenyl-propan-1-one Formula: C23H31N5O MolecularWeight: 393.52514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C23H31N5O/c29-23(13-10-20-8-4-3-5-9-20)28-18-16-27(17-19-28)22-12-11-21(24-25-22)26-14-6-1-2-7-15-26/h3-5,8-9,11-12H,1-2,6-7,10,13-19H2