1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrol-1-yl-3-thiophen-2-yl-propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrol-1-yl-3-thiophen-2-yl-propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrol-1-yl-3-(2-thienyl)propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-pyrrolyl)-3-thiophen-2-yl-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrol-1-yl-3-(2-thienyl)propan-1-one Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CC(C3=CC=CS3)N4C=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CC(C3=CC=CS3)N4C=CC=C4

InChI

InChI=1S/C20H20N2OS/c23-20(22-12-9-16-6-1-2-7-17(16)15-22)14-18(19-8-5-13-24-19)21-10-3-4-11-21/h1-8,10-11,13,18H,9,12,14-15H2