[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone Traditional Name: (4-benzylpiperazino)-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone Formula: C28H31N3O MolecularWeight: 425.56524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H31N3O/c32-28(31-18-16-29(17-19-31)20-23-6-2-1-3-7-23)26-12-10-24(11-13-26)21-30-15-14-25-8-4-5-9-27(25)22-30/h1-13H,14-22H2