N-[1-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]isoquinoline-1-carboxamide

Systemtic Name: N-[1-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]isoquinoline-1-carboxamide Openeye Name: N-[1-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]isoquinoline-1-carboxamide CAS Name: N-[1-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-1-isoquinolinecarboxamide IUPAC Name: N-[1-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]isoquinoline-1-carboxamide Traditional Name: N-[1-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]isoquinoline-1-carboxamide Formula: C20H16ClN5O MolecularWeight: 377.82694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NN1)C2=CC=C(C=C2)Cl)NC(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC(C1=NC(=NN1)C2=CC=C(C=C2)Cl)NC(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C20H16ClN5O/c1-12(18-24-19(26-25-18)14-6-8-15(21)9-7-14)23-20(27)17-16-5-3-2-4-13(16)10-11-22-17/h2-12H,1H3,(H,23,27)(H,24,25,26)