N-(2-acetamidoethyl)-1-chloranyl-4-oxidanyl-isoquinoline-3-carboxamide

Systemtic Name: N-(2-acetamidoethyl)-1-chloranyl-4-oxidanyl-isoquinoline-3-carboxamide Openeye Name: N-(2-acetamidoethyl)-1-chloro-4-hydroxy-isoquinoline-3-carboxamide CAS Name: N-(2-acetamidoethyl)-1-chloro-4-hydroxy-3-isoquinolinecarboxamide IUPAC Name: N-(2-acetamidoethyl)-1-chloro-4-hydroxyisoquinoline-3-carboxamide Traditional Name: N-(2-acetamidoethyl)-1-chloro-4-hydroxy-isoquinoline-3-carboxamide Formula: C14H14ClN3O3 MolecularWeight: 307.73226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)O

Isomeric SMILES

CC(=O)NCCNC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)O

InChI

InChI=1S/C14H14ClN3O3/c1-8(19)16-6-7-17-14(21)11-12(20)9-4-2-3-5-10(9)13(15)18-11/h2-5,20H,6-7H2,1H3,(H,16,19)(H,17,21)