1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-(phenylmethyl)indol-3-yl]-3-thiophen-2-yl-propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-(phenylmethyl)indol-3-yl]-3-thiophen-2-yl-propan-1-one Openeye Name: 3-(1-benzylindol-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-thienyl)propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-(phenylmethyl)-3-indolyl]-3-thiophen-2-yl-1-propanone IUPAC Name: 3-(1-benzylindol-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-thiophen-2-ylpropan-1-one Traditional Name: 3-(1-benzylindol-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-thienyl)propan-1-one Formula: C31H28N2OS MolecularWeight: 476.63182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CC(C3=CC=CS3)C4=CN(C5=CC=CC=C54)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CC(C3=CC=CS3)C4=CN(C5=CC=CC=C54)CC6=CC=CC=C6

InChI

InChI=1S/C31H28N2OS/c34-31(32-17-16-24-11-4-5-12-25(24)21-32)19-27(30-15-8-18-35-30)28-22-33(20-23-9-2-1-3-10-23)29-14-7-6-13-26(28)29/h1-15,18,22,27H,16-17,19-21H2