6-[4-(2-azanylpropan-2-yl)phenyl]-5-pyrrol-1-yl-2H-isoquinolin-1-one

Systemtic Name: 6-[4-(2-azanylpropan-2-yl)phenyl]-5-pyrrol-1-yl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-amino-1-methyl-ethyl)phenyl]-5-pyrrol-1-yl-2H-isoquinolin-1-one CAS Name: 6-[4-(2-aminopropan-2-yl)phenyl]-5-(1-pyrrolyl)-2H-isoquinolin-1-one IUPAC Name: 6-[4-(2-aminopropan-2-yl)phenyl]-5-pyrrol-1-yl-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-amino-1-methyl-ethyl)phenyl]-5-pyrrol-1-yl-isocarbostyril Formula: C22H21N3O MolecularWeight: 343.42164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C2=C(C3=C(C=C2)C(=O)NC=C3)N4C=CC=C4)N

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C2=C(C3=C(C=C2)C(=O)NC=C3)N4C=CC=C4)N

InChI

InChI=1S/C22H21N3O/c1-22(2,23)16-7-5-15(6-8-16)17-9-10-19-18(11-12-24-21(19)26)20(17)25-13-3-4-14-25/h3-14H,23H2,1-2H3,(H,24,26)