[4-[4-(diphenylamino)piperidin-1-yl]-4-methyl-piperidin-1-yl]-isoquinolin-4-yl-methanone

Systemtic Name: [4-[4-(diphenylamino)piperidin-1-yl]-4-methyl-piperidin-1-yl]-isoquinolin-4-yl-methanone Openeye Name: 4-isoquinolyl-[4-methyl-4-[4-(N-phenylanilino)-1-piperidyl]-1-piperidyl]methanone CAS Name: 4-isoquinolinyl-[4-methyl-4-[4-(N-phenylanilino)-1-piperidinyl]-1-piperidinyl]methanone IUPAC Name: isoquinolin-4-yl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone Traditional Name: 4-isoquinolyl-[4-methyl-4-[4-(N-phenylanilino)piperidino]piperidino]methanone Formula: C33H36N4O MolecularWeight: 504.66514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C(=O)C2=CN=CC3=CC=CC=C32)N4CCC(CC4)N(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1(CCN(CC1)C(=O)C2=CN=CC3=CC=CC=C32)N4CCC(CC4)N(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H36N4O/c1-33(18-22-35(23-19-33)32(38)31-25-34-24-26-10-8-9-15-30(26)31)36-20-16-29(17-21-36)37(27-11-4-2-5-12-27)28-13-6-3-7-14-28/h2-15,24-25,29H,16-23H2,1H3