N-(2-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-4-carboxamide

Systemtic Name: N-(2-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-4-carboxamide Openeye Name: N-(2-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-4-carboxamide CAS Name: N-[2-(1-pyrrolidinylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyridinecarboxamide IUPAC Name: N-(2-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-4-carboxamide Traditional Name: N-(2-pyrrolidinosulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)isonicotinamide Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C19H22N4O3S/c24-19(16-5-8-20-9-6-16)21-18-4-3-15-7-12-23(14-17(15)13-18)27(25,26)22-10-1-2-11-22/h3-6,8-9,13H,1-2,7,10-12,14H2,(H,21,24)