1-chloranyl-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide

Systemtic Name: 1-chloranyl-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide Openeye Name: 1-chloro-N-(4-pyridylmethyl)isoquinoline-3-carboxamide CAS Name: 1-chloro-N-(pyridin-4-ylmethyl)-3-isoquinolinecarboxamide IUPAC Name: 1-chloro-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide Traditional Name: 1-chloro-N-(4-pyridylmethyl)isoquinoline-3-carboxamide Formula: C16H12ClN3O MolecularWeight: 297.73898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2Cl)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2Cl)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C16H12ClN3O/c17-15-13-4-2-1-3-12(13)9-14(20-15)16(21)19-10-11-5-7-18-8-6-11/h1-9H,10H2,(H,19,21)