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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)CC4=CC=CN4C5=CN=CC=C5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)CC4=CC=CN4C5=CN=CC=C5

InChI

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