2-(5-azanyl-2-methyl-phenyl)-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one

Systemtic Name: 2-(5-azanyl-2-methyl-phenyl)-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one Openeye Name: 2-(5-amino-2-methyl-phenyl)-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one CAS Name: 2-(5-amino-2-methylphenyl)-7-[2-(1-pyrrolidinyl)ethoxy]-1-isoquinolinone IUPAC Name: 2-(5-amino-2-methylphenyl)-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one Traditional Name: 2-(5-amino-2-methyl-phenyl)-7-(2-pyrrolidinoethoxy)isocarbostyril Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)N2C=CC3=C(C2=O)C=C(C=C3)OCCN4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)N)N2C=CC3=C(C2=O)C=C(C=C3)OCCN4CCCC4

InChI

InChI=1S/C22H25N3O2/c1-16-4-6-18(23)14-21(16)25-11-8-17-5-7-19(15-20(17)22(25)26)27-13-12-24-9-2-3-10-24/h4-8,11,14-15H,2-3,9-10,12-13,23H2,1H3