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

Systemtic Name: 2-(4-chlorophenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]cinchoninamide Formula: C29H24ClN5O MolecularWeight: 493.98676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C29H24ClN5O/c30-21-13-9-19(10-14-21)26-18-24(23-6-3-4-7-25(23)32-26)29(36)31-22-15-11-20(12-16-22)28-34-33-27-8-2-1-5-17-35(27)28/h3-4,6-7,9-16,18H,1-2,5,8,17H2,(H,31,36)