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

Systemtic Name: [4-[4-(diphenylamino)piperidin-1-yl]-4-methyl-piperidin-1-yl]-isoquinolin-1-yl-methanone Openeye Name: 1-isoquinolyl-[4-methyl-4-[4-(N-phenylanilino)-1-piperidyl]-1-piperidyl]methanone CAS Name: 1-isoquinolinyl-[4-methyl-4-[4-(N-phenylanilino)-1-piperidinyl]-1-piperidinyl]methanone IUPAC Name: isoquinolin-1-yl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone Traditional Name: 1-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=NC=CC3=CC=CC=C32)N4CCC(CC4)N(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

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

InChI

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