N-ethyl-4-methyl-3-[1-oxidanylidene-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-2-yl]benzamide

Systemtic Name: N-ethyl-4-methyl-3-[1-oxidanylidene-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-2-yl]benzamide Openeye Name: N-ethyl-4-methyl-3-[1-oxo-7-(2-pyrrolidin-1-ylethoxy)-2-isoquinolyl]benzamide CAS Name: N-ethyl-4-methyl-3-[1-oxo-7-[2-(1-pyrrolidinyl)ethoxy]-2-isoquinolinyl]benzamide IUPAC Name: N-ethyl-4-methyl-3-[1-oxo-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-2-yl]benzamide Traditional Name: N-ethyl-3-[1-keto-7-(2-pyrrolidinoethoxy)-2-isoquinolyl]-4-methyl-benzamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=C(C=C1)C)N2C=CC3=C(C2=O)C=C(C=C3)OCCN4CCCC4

Isomeric SMILES

CCNC(=O)C1=CC(=C(C=C1)C)N2C=CC3=C(C2=O)C=C(C=C3)OCCN4CCCC4

InChI

InChI=1S/C25H29N3O3/c1-3-26-24(29)20-7-6-18(2)23(16-20)28-13-10-19-8-9-21(17-22(19)25(28)30)31-15-14-27-11-4-5-12-27/h6-10,13,16-17H,3-5,11-12,14-15H2,1-2H3,(H,26,29)