N-(3-bromophenyl)-1-chloranyl-isoquinoline-3-carboxamide

Systemtic Name: N-(3-bromophenyl)-1-chloranyl-isoquinoline-3-carboxamide Openeye Name: N-(3-bromophenyl)-1-chloro-isoquinoline-3-carboxamide CAS Name: N-(3-bromophenyl)-1-chloro-3-isoquinolinecarboxamide IUPAC Name: N-(3-bromophenyl)-1-chloroisoquinoline-3-carboxamide Traditional Name: N-(3-bromophenyl)-1-chloro-isoquinoline-3-carboxamide Formula: C16H10BrClN2O MolecularWeight: 361.6204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2Cl)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2Cl)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H10BrClN2O/c17-11-5-3-6-12(9-11)19-16(21)14-8-10-4-1-2-7-13(10)15(18)20-14/h1-9H,(H,19,21)