6-but-1-ynyl-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxidanylidene-cinnoline-3-carboxamide

Systemtic Name: 6-but-1-ynyl-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxidanylidene-cinnoline-3-carboxamide Openeye Name: 6-but-1-ynyl-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-cinnoline-3-carboxamide CAS Name: 6-but-1-ynyl-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-3-cinnolinecarboxamide IUPAC Name: 6-but-1-ynyl-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxocinnoline-3-carboxamide Traditional Name: 6-but-1-ynyl-N-(4-chlorobenzyl)-4-keto-1-methyl-cinnoline-3-carboxamide Formula: C21H18ClN3O2 MolecularWeight: 379.83952

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=CC2=C(C=C1)N(N=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCC#CC1=CC2=C(C=C1)N(N=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H18ClN3O2/c1-3-4-5-14-8-11-18-17(12-14)20(26)19(24-25(18)2)21(27)23-13-15-6-9-16(22)10-7-15/h6-12H,3,13H2,1-2H3,(H,23,27)