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

Systemtic Name: N-(2-acetamidoethyl)-1-chloranyl-isoquinoline-3-carboxamide Openeye Name: N-(2-acetamidoethyl)-1-chloro-isoquinoline-3-carboxamide CAS Name: N-(2-acetamidoethyl)-1-chloro-3-isoquinolinecarboxamide IUPAC Name: N-(2-acetamidoethyl)-1-chloroisoquinoline-3-carboxamide Traditional Name: N-(2-acetamidoethyl)-1-chloro-isoquinoline-3-carboxamide Formula: C14H14ClN3O2 MolecularWeight: 291.73286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1=CC2=CC=CC=C2C(=N1)Cl

Isomeric SMILES

CC(=O)NCCNC(=O)C1=CC2=CC=CC=C2C(=N1)Cl

InChI

InChI=1S/C14H14ClN3O2/c1-9(19)16-6-7-17-14(20)12-8-10-4-2-3-5-11(10)13(15)18-12/h2-5,8H,6-7H2,1H3,(H,16,19)(H,17,20)