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

Systemtic Name: 2-chloranyl-N-[4-methyl-3-[1-oxidanylidene-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-2-yl]phenyl]pyridine-4-carboxamide Openeye Name: 2-chloro-N-[4-methyl-3-[1-oxo-7-(2-pyrrolidin-1-ylethoxy)-2-isoquinolyl]phenyl]pyridine-4-carboxamide CAS Name: 2-chloro-N-[4-methyl-3-[1-oxo-7-[2-(1-pyrrolidinyl)ethoxy]-2-isoquinolinyl]phenyl]-4-pyridinecarboxamide IUPAC Name: 2-chloro-N-[4-methyl-3-[1-oxo-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-2-yl]phenyl]pyridine-4-carboxamide Traditional Name: 2-chloro-N-[3-[1-keto-7-(2-pyrrolidinoethoxy)-2-isoquinolyl]-4-methyl-phenyl]isonicotinamide Formula: C28H27ClN4O3 MolecularWeight: 502.99198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)Cl)N3C=CC4=C(C3=O)C=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)Cl)N3C=CC4=C(C3=O)C=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C28H27ClN4O3/c1-19-4-6-22(31-27(34)21-8-10-30-26(29)16-21)17-25(19)33-13-9-20-5-7-23(18-24(20)28(33)35)36-15-14-32-11-2-3-12-32/h4-10,13,16-18H,2-3,11-12,14-15H2,1H3,(H,31,34)