4-(1-adamantyl)-N-[(E)-(2-chlorophenyl)methylideneamino]quinoline-2-carboxamide

Systemtic Name: 4-(1-adamantyl)-N-[(E)-(2-chlorophenyl)methylideneamino]quinoline-2-carboxamide Openeye Name: 4-(1-adamantyl)-N-[(E)-(2-chlorophenyl)methyleneamino]quinoline-2-carboxamide CAS Name: 4-(1-adamantyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-2-quinolinecarboxamide IUPAC Name: 4-(1-adamantyl)-N-[(E)-(2-chlorophenyl)methylideneamino]quinoline-2-carboxamide Traditional Name: 4-(1-adamantyl)-N-[(E)-(2-chlorobenzylidene)amino]quinaldamide Formula: C27H26ClN3O MolecularWeight: 443.96784

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NN=CC6=CC=CC=C6Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)N/N=C/C6=CC=CC=C6Cl

InChI

InChI=1S/C27H26ClN3O/c28-23-7-3-1-5-20(23)16-29-31-26(32)25-12-22(21-6-2-4-8-24(21)30-25)27-13-17-9-18(14-27)11-19(10-17)15-27/h1-8,12,16-19H,9-11,13-15H2,(H,31,32)/b29-16+