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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC(=CC=C3)CN

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC(=CC=C3)CN

InChI

InChI=1S/C17H16N2O2/c18-10-12-4-3-5-13(8-12)11-19-16(20)9-14-6-1-2-7-15(14)17(19)21/h1-8H,9-11,18H2