N-(3,4-dichlorophenyl)-2-oxidanylidene-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)quinoline-1-carboxamide

Systemtic Name: N-(3,4-dichlorophenyl)-2-oxidanylidene-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)quinoline-1-carboxamide Openeye Name: N-(3,4-dichlorophenyl)-2-oxo-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)quinoline-1-carboxamide CAS Name: N-(3,4-dichlorophenyl)-2-oxo-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-quinolinecarboxamide IUPAC Name: N-(3,4-dichlorophenyl)-2-oxo-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)quinoline-1-carboxamide Traditional Name: N-(3,4-dichlorophenyl)-2-keto-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)quinoline-1-carboxamide Formula: C23H19Cl2N5O2 MolecularWeight: 468.33526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=CC4=CC=CC=C4N(C3=O)C(=O)NC5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=CC4=CC=CC=C4N(C3=O)C(=O)NC5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C23H19Cl2N5O2/c24-17-10-9-15(13-18(17)25)26-23(32)30-19-7-4-3-6-14(19)12-16(22(30)31)21-28-27-20-8-2-1-5-11-29(20)21/h3-4,6-7,9-10,12-13H,1-2,5,8,11H2,(H,26,32)