3,4-dihydro-1H-isoquinolin-2-yl-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)methanone Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCC4=CC=CC=C4C3)N5C=CC=C5)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCC4=CC=CC=C4C3)N5C=CC=C5)C

InChI

InChI=1S/C23H21N3OS/c1-15-13-16(2)24-22-19(15)20(25-10-5-6-11-25)21(28-22)23(27)26-12-9-17-7-3-4-8-18(17)14-26/h3-8,10-11,13H,9,12,14H2,1-2H3