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

Systemtic Name: 2-[(3-azanyl-4-chloranyl-phenyl)methyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[(3-amino-4-chloro-phenyl)methyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[(3-amino-4-chlorophenyl)methyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[(3-amino-4-chlorophenyl)methyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-(3-amino-4-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=CC(=C(C=C3)Cl)N

Isomeric SMILES

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

InChI

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