4-(1-adamantyl)-N-[(E)-(phenylmethylidene)amino]quinoline-2-carboxamide

Systemtic Name: 4-(1-adamantyl)-N-[(E)-(phenylmethylidene)amino]quinoline-2-carboxamide Openeye Name: 4-(1-adamantyl)-N-[(E)-benzylideneamino]quinoline-2-carboxamide CAS Name: 4-(1-adamantyl)-N-[(E)-(phenylmethylene)amino]-2-quinolinecarboxamide IUPAC Name: 4-(1-adamantyl)-N-[(E)-benzylideneamino]quinoline-2-carboxamide Traditional Name: 4-(1-adamantyl)-N-[(E)-benzalamino]quinaldamide Formula: C27H27N3O MolecularWeight: 409.52278

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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=C6

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O/c31-26(30-28-17-18-6-2-1-3-7-18)25-13-23(22-8-4-5-9-24(22)29-25)27-14-19-10-20(15-27)12-21(11-19)16-27/h1-9,13,17,19-21H,10-12,14-16H2,(H,30,31)/b28-17+