2-[(5-azanyl-2-chloranyl-phenyl)methyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[(5-azanyl-2-chloranyl-phenyl)methyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[(5-amino-2-chloro-phenyl)methyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[(5-amino-2-chlorophenyl)methyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[(5-amino-2-chlorophenyl)methyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-(5-amino-2-chloro-benzyl)-4H-isoquinoline-1,3-quinone Formula: C16H13ClN2O2 MolecularWeight: 300.73962

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CC3=C(C=CC(=C3)N)Cl

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CC3=C(C=CC(=C3)N)Cl

InChI

InChI=1S/C16H13ClN2O2/c17-14-6-5-12(18)7-11(14)9-19-15(20)8-10-3-1-2-4-13(10)16(19)21/h1-7H,8-9,18H2