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

Systemtic Name: N-[2-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-7-yl]isonicotinamide Formula: C25H23N5O MolecularWeight: 409.48302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)CC4=CC=CN4C5=CC=CC=N5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)CC4=CC=CN4C5=CC=CC=N5

InChI

InChI=1S/C25H23N5O/c31-25(20-8-12-26-13-9-20)28-22-7-6-19-10-15-29(17-21(19)16-22)18-23-4-3-14-30(23)24-5-1-2-11-27-24/h1-9,11-14,16H,10,15,17-18H2,(H,28,31)