N-[4-methyl-3-[1-oxidanylidene-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-2-yl]phenyl]-2-thiophen-2-yl-pyridine-4-carboxamide

Systemtic Name: N-[4-methyl-3-[1-oxidanylidene-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-2-yl]phenyl]-2-thiophen-2-yl-pyridine-4-carboxamide Openeye Name: N-[4-methyl-3-[1-oxo-7-(2-pyrrolidin-1-ylethoxy)-2-isoquinolyl]phenyl]-2-(2-thienyl)pyridine-4-carboxamide CAS Name: N-[4-methyl-3-[1-oxo-7-[2-(1-pyrrolidinyl)ethoxy]-2-isoquinolinyl]phenyl]-2-thiophen-2-yl-4-pyridinecarboxamide IUPAC Name: N-[4-methyl-3-[1-oxo-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-2-yl]phenyl]-2-thiophen-2-ylpyridine-4-carboxamide Traditional Name: N-[3-[1-keto-7-(2-pyrrolidinoethoxy)-2-isoquinolyl]-4-methyl-phenyl]-2-(2-thienyl)isonicotinamide Formula: C32H30N4O3S MolecularWeight: 550.6706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)C3=CC=CS3)N4C=CC5=C(C4=O)C=C(C=C5)OCCN6CCCC6

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)C3=CC=CS3)N4C=CC5=C(C4=O)C=C(C=C5)OCCN6CCCC6

InChI

InChI=1S/C32H30N4O3S/c1-22-6-8-25(34-31(37)24-10-12-33-28(19-24)30-5-4-18-40-30)20-29(22)36-15-11-23-7-9-26(21-27(23)32(36)38)39-17-16-35-13-2-3-14-35/h4-12,15,18-21H,2-3,13-14,16-17H2,1H3,(H,34,37)