N-[2-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-[(1-thiazol-2-ylpyrrol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-[(1-thiazol-2-ylpyrrol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]isonicotinamide Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)CC4=CC=CN4C5=NC=CS5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)CC4=CC=CN4C5=NC=CS5

InChI

InChI=1S/C23H21N5OS/c29-22(18-5-8-24-9-6-18)26-20-4-3-17-7-12-27(15-19(17)14-20)16-21-2-1-11-28(21)23-25-10-13-30-23/h1-6,8-11,13-14H,7,12,15-16H2,(H,26,29)