3-(bromomethyl)-4-phenyl-N-[(Z)-(1-pyridin-2-yl-2-quinolin-4-yl-ethylidene)amino]butanamide

Systemtic Name: 3-(bromomethyl)-4-phenyl-N-[(Z)-(1-pyridin-2-yl-2-quinolin-4-yl-ethylidene)amino]butanamide Openeye Name: 3-benzyl-4-bromo-N-[(Z)-[1-(2-pyridyl)-2-(4-quinolyl)ethylidene]amino]butanamide CAS Name: 3-(bromomethyl)-4-phenyl-N-[(Z)-[1-(2-pyridinyl)-2-(4-quinolinyl)ethylidene]amino]butanamide IUPAC Name: 3-benzyl-4-bromo-N-[(Z)-(1-pyridin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide Traditional Name: 3-benzyl-4-bromo-N-[(Z)-[1-(2-pyridyl)-2-(4-quinolyl)ethylidene]amino]butyramide Formula: C27H25BrN4O MolecularWeight: 501.4176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)NN=C(CC2=CC=NC3=CC=CC=C23)C4=CC=CC=N4)CBr

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)N/N=C(/CC2=CC=NC3=CC=CC=C23)\C4=CC=CC=N4)CBr

InChI

InChI=1S/C27H25BrN4O/c28-19-21(16-20-8-2-1-3-9-20)17-27(33)32-31-26(25-12-6-7-14-29-25)18-22-13-15-30-24-11-5-4-10-23(22)24/h1-15,21H,16-19H2,(H,32,33)/b31-26-