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

Systemtic Name: 6-[4-(2-azanylpropan-2-yl)phenyl]-5-(ethylamino)-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-amino-1-methyl-ethyl)phenyl]-5-(ethylamino)-2H-isoquinolin-1-one CAS Name: 6-[4-(2-aminopropan-2-yl)phenyl]-5-(ethylamino)-2H-isoquinolin-1-one IUPAC Name: 6-[4-(2-aminopropan-2-yl)phenyl]-5-(ethylamino)-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-amino-1-methyl-ethyl)phenyl]-5-(ethylamino)isocarbostyril Formula: C20H23N3O MolecularWeight: 321.41612

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC2=C1C=CNC2=O)C3=CC=C(C=C3)C(C)(C)N

Isomeric SMILES

CCNC1=C(C=CC2=C1C=CNC2=O)C3=CC=C(C=C3)C(C)(C)N

InChI

InChI=1S/C20H23N3O/c1-4-22-18-15(9-10-17-16(18)11-12-23-19(17)24)13-5-7-14(8-6-13)20(2,3)21/h5-12,22H,4,21H2,1-3H3,(H,23,24)