[6-chloranyl-3-(5H-1,2,3,4-tetrazol-5-ylmethyl)-1H-indol-2-yl]-isoquinolin-3-yl-methanone

Systemtic Name: [6-chloranyl-3-(5H-1,2,3,4-tetrazol-5-ylmethyl)-1H-indol-2-yl]-isoquinolin-3-yl-methanone Openeye Name: [6-chloro-3-(5H-tetrazol-5-ylmethyl)-1H-indol-2-yl]-(3-isoquinolyl)methanone CAS Name: [6-chloro-3-(5H-tetrazol-5-ylmethyl)-1H-indol-2-yl]-(3-isoquinolinyl)methanone IUPAC Name: [6-chloro-3-(5H-tetrazol-5-ylmethyl)-1H-indol-2-yl]-isoquinolin-3-ylmethanone Traditional Name: [6-chloro-3-(5H-tetrazol-5-ylmethyl)-1H-indol-2-yl]-(3-isoquinolyl)methanone Formula: C20H13ClN6O MolecularWeight: 388.80982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C(=O)C3=C(C4=C(N3)C=C(C=C4)Cl)CC5N=NN=N5

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)C3=C(C4=C(N3)C=C(C=C4)Cl)CC5N=NN=N5

InChI

InChI=1S/C20H13ClN6O/c21-13-5-6-14-15(9-18-24-26-27-25-18)19(23-16(14)8-13)20(28)17-7-11-3-1-2-4-12(11)10-22-17/h1-8,10,18,23H,9H2