2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7-thiophen-3-yl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7-thiophen-3-yl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7-(3-thienyl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7-(3-thiophenyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7-thiophen-3-yl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7-(3-thienyl)-3,4-dihydro-1H-isoquinoline Formula: C21H19N3S MolecularWeight: 345.46066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)C3=CSC=C3)CC4=CNC5=C4C=CC=N5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)C3=CSC=C3)CC4=CNC5=C4C=CC=N5

InChI

InChI=1S/C21H19N3S/c1-2-20-19(11-23-21(20)22-7-1)13-24-8-5-15-3-4-16(10-18(15)12-24)17-6-9-25-14-17/h1-4,6-7,9-11,14H,5,8,12-13H2,(H,22,23)