2-[4-(1-azanylethyl)phenyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[4-(1-azanylethyl)phenyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[4-(1-aminoethyl)phenyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[4-(1-aminoethyl)phenyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[4-(1-aminoethyl)phenyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[4-(1-aminoethyl)phenyl]-4H-isoquinoline-1,3-quinone Formula: C17H16N2O2 MolecularWeight: 280.32114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C(=O)CC3=CC=CC=C3C2=O)N

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C(=O)CC3=CC=CC=C3C2=O)N

InChI

InChI=1S/C17H16N2O2/c1-11(18)12-6-8-14(9-7-12)19-16(20)10-13-4-2-3-5-15(13)17(19)21/h2-9,11H,10,18H2,1H3