N-[2-[(5-ethanoylthiophen-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-[(5-ethanoylthiophen-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]pyridine-4-carboxamide Openeye Name: N-[2-[(5-acetyl-3-thienyl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]pyridine-4-carboxamide CAS Name: N-[2-[(5-acetyl-3-thiophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-[(5-acetylthiophen-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]pyridine-4-carboxamide Traditional Name: N-[2-[(5-acetyl-3-thienyl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]isonicotinamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)CN2CCC3=C(C2)C=CC=C3NC(=O)C4=CC=NC=C4

Isomeric SMILES

CC(=O)C1=CC(=CS1)CN2CCC3=C(C2)C=CC=C3NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C22H21N3O2S/c1-15(26)21-11-16(14-28-21)12-25-10-7-19-18(13-25)3-2-4-20(19)24-22(27)17-5-8-23-9-6-17/h2-6,8-9,11,14H,7,10,12-13H2,1H3,(H,24,27)