4-(1-adamantyl)-N-[(E)-(7-chloranylquinolin-4-yl)methylideneamino]quinoline-2-carboxamide

Systemtic Name: 4-(1-adamantyl)-N-[(E)-(7-chloranylquinolin-4-yl)methylideneamino]quinoline-2-carboxamide Openeye Name: 4-(1-adamantyl)-N-[(E)-(7-chloro-4-quinolyl)methyleneamino]quinoline-2-carboxamide CAS Name: 4-(1-adamantyl)-N-[(E)-(7-chloro-4-quinolinyl)methylideneamino]-2-quinolinecarboxamide IUPAC Name: 4-(1-adamantyl)-N-[(E)-(7-chloroquinolin-4-yl)methylideneamino]quinoline-2-carboxamide Traditional Name: 4-(1-adamantyl)-N-[(E)-(7-chloro-4-quinolyl)methyleneamino]quinaldamide Formula: C30H27ClN4O MolecularWeight: 495.01458

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NN=CC6=C7C=CC(=CC7=NC=C6)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)N/N=C/C6=C7C=CC(=CC7=NC=C6)Cl

InChI

InChI=1S/C30H27ClN4O/c31-22-5-6-23-21(7-8-32-27(23)12-22)17-33-35-29(36)28-13-25(24-3-1-2-4-26(24)34-28)30-14-18-9-19(15-30)11-20(10-18)16-30/h1-8,12-13,17-20H,9-11,14-16H2,(H,35,36)/b33-17+